SCHEMBL1685803

SCHEMBL1685803

COC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.76
PGR P06401 5/20 0.76
HIF1A Q16665 4/20 0.76
HSD17B10 Q99714 2/20 0.76
ABCB11 O95342 2/20 0.76
CYP3A4 P08684 1/20 0.76
TNF P01375 1/20 0.76
IL6 P05231 1/20 0.76
SERPINA6 P08185 1/20 0.76
NR3C2 P08235 1/20 0.76
AR P10275 1/20 0.76
GLUL P15104 1/20 0.76
ADAM17 P78536 1/20 0.76
GPBAR1 Q8TDU6 1/20 0.76
CYP2C19 P33261 1/20 0.76
LMNA P02545 2/20 0.65
NR1I2 O75469 2/20 0.59
ABCC3 O15438 1/20 0.59
KMT2A Q03164 1/20 0.56
CNR1 P21554 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15796471 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL12738238 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL12969465 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL5098329 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL13379819 1.00 NR3C1 (0.76) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL10333932 0.90 NR3C1 (0.73) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL10333933 0.90 NR3C1 (0.73) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL5098424 0.90 PGR (0.77) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL1685716 0.90 PGR (0.77) NR3C1PGRHIF1AHSD17B10ABCB11
SCHEMBL13929909 0.89 NR3C1 (0.66) NR3C1PGRHIF1AHSD17B10ABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190224164-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF COPD BODOR LABORATORIES, INC. 2019-07-25 US claimed
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2012-07-12 US claimed
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR LABORATORIES, INC. 2012-06-07 US claimed
EP-1948596-B1 SOFT ANTICHOLINERGIC ESTERS BODOR NICHOLAS S (US) 2011-10-19 EP claimed
EP-1957451-B1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR NICHOLAS S (US) 2011-10-19 EP claimed
US-7923441-B2 Enhancement of activity and/or duration of action of soft anti-inflammatory steroids for topical or other local application BODOR LABORATORIES, INC. 2011-04-12 US claimed
US-7776846-B2 Enhancement of activity and/or duration of action of selected anti-inflammatory steroids for topical or other local application BODOR LABORATORIES, INC. 2010-08-17 US claimed
EP-1653974-B1 ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SOFT ANTI-INFLAMMATORY STEROIDS FOR TOPICAL OR OTHER LOCAL APPLICATION BODOR NICHOLAS S (US) 2010-01-06 EP claimed
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS BODOR LABORATORIES, INC. 2009-10-22 US claimed
US-20090257969-A1 SOFT ANTICHOLINERGIC ZWITTERIONS BODOR LABORATORIES, INC. 2009-10-15 US claimed
US-20090075954-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate BODOR LABORATORIES, INC. 2009-03-19 US claimed
US-20080261930-A1 ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SELECTED ANTI-INFLAMMATORY STEROIDS FOR TOPICAL OR OTHER LOCAL APPLICATION BODOR LABORATORIES, INC. 2008-10-23 US claimed
US-20080242651-A1 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-10-02 US claimed
US-7419971-B2 Enhancement of activity and/or duration of action of selected anti-inflammatory steroids for topical or other local application BODOR LABORATORIES, INC. 2008-09-02 US claimed
US-7417147-B2 muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-08-26 US claimed
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent BODOR LABORATORIES, INC. 2008-01-31 US claimed
EP-1658083-B1 ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SELECTED ANTI-INFLAMMATORY STEROIDS BODOR NICHOLAS S (US) 2007-08-08 EP claimed
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives BODOR LABORATORIES, INC. 2007-05-31 US claimed
US-20050026892-A1 Enhancement of activity and/or duration of action of soft anti-inflammatory steroids for topical or other local application BODOR LABORATORIES, INC. 2005-02-03 US claimed
US-20050020551-A1 Enhancement of activity and/or duration of action of selected anti-inflammatory steroids for topical or other local application BODOR LABORATORIES, INC. 2005-01-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090263341-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 NR3C1 1356/4885PGR 837/4885HIF1A 4585/4885
US-20120177590-A1 SOFT ANTICHOLINERGIC ESTERS CHRM2, CHRM1, CHRM3 NR3C1 1356/4885PGR 837/4885HIF1A 4585/4885
US-20050020551-A1 Enhancement of activity and/or duration of action of selected anti-inflammatory steroids for topical or other local application NR3C1, NR3C2, HSD17B7 NR3C1 1/4885PGR 371/4885HIF1A 1389/4885
US-20080261930-A1 ENHANCEMENT OF ACTIVITY AND/OR DURATION OF ACTION OF SELECTED ANTI-INFLAMMATORY STEROIDS FOR TOPICAL OR OTHER LOCAL APPLICATION NR3C1, NR3C2, HSD17B7 NR3C1 1/4885PGR 371/4885HIF1A 1389/4885
US-20120141401-A1 SOFT ANTICHOLINERGIC ZWITTERIONS CHRM2, CHRM1, CHRM3 NR3C1 1856/4885PGR 1680/4885HIF1A 4791/4885
US-20090257969-A1 SOFT ANTICHOLINERGIC ZWITTERIONS CHRM2, CHRM1, CHRM3 NR3C1 1856/4885PGR 1680/4885HIF1A 4791/4885
US-20080027091-A1 e.g. 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, ADRB2, ADRB1 NR3C1 16/4885PGR 446/4885HIF1A 3363/4885
US-20080242651-A1 3-(2-cyclopentyl-2-phenyl-2-hydroxyacetoxy)-1-(carboxymethyl)-1-methylpyrrolidinium inner salt; muscarinic receptor antagonist; chronic obstructive pulmonary disease or asthma; synergistic mixture with antiinflammatory corticosteroid, betamimetic agent or antiallergic agent CHRM2, CHRM1, CHRM3 NR3C1 19/4885PGR 562/4885HIF1A 3390/4885
US-20190224164-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF COPD CHRM3, CHRNG, CHRM2 NR3C1 115/4885PGR 378/4885HIF1A 634/4885
US-20090075954-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives; 6 beta ,7 beta -epoxy-3 beta -hydroxy-8-ethoxycarbonylmethyl-8-methyl-1 alpha H,5 alpha H-tropanium bromide, di-2-thienylglycolate CHRNE, CHRM1, ADRB1 NR3C1 205/4885PGR 1359/4885HIF1A 1841/4885
US-20070123557-A1 side effects reduction; treating an obstructive disease of the respiratory tract or for treating overactive bladder; 3-oxa-9-azatricyclo(3.3.1.0(2,4)nonane derivatives CHRM2, ADRB1, ADRB2 NR3C1 588/4885PGR 1449/4885HIF1A 3671/4885
US-20050026892-A1 Enhancement of activity and/or duration of action of soft anti-inflammatory steroids for topical or other local application OXER1, ELOVL6, ELOVL3 NR3C1 39/4885PGR 692/4885HIF1A 1572/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.