SCHEMBL1040319

SCHEMBL1040319

CC1(C)C=Cc2c[c]ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CA7 P43166 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HIF1A Q16665 9/20 0.35
EPAS1 Q99814 9/20 0.35
ODC1 P11926 1/20 0.35

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
SCHEMBL20719288 0.85 ALDH1A1 (0.39) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL506743 0.67 CA12 (0.46) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL482227 0.67 NPSR1 (0.49) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL8810009 0.67 HIF1A (0.41) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL2012004 0.67 HIF1A (0.46) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL2884588 0.66 TSHR (0.44)
SCHEMBL9581577 0.64 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL2562692 0.63 PTPN1 (0.53) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL1891468 0.63 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ENPC1CA12
SCHEMBL20766474 0.63 ODC1 (0.44) ALDH1A1HPGDKDM4ENPC1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997661-B Cyclopropyl ureaplatin 2 receptor and formyl peptide 1 receptor agonists 百时美施贵宝公司 2023-03-31 CN disclosed
US-11180490-B2 Cyclopropyl urea formyl peptide 2 receptor and formyl peptide 1 receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-23 US disclosed
EP-3634958-B1 CYCLOPROPYL UREA FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-07-21 EP disclosed
US-20200199113-A1 CYCLOPROPYL UREA FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-06-25 US disclosed
EP-3634958-A1 CYCLOPROPYL UREA FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2020-04-15 EP disclosed
CN-110997661-A Cyclopropyl ureaplatin 2 receptor and formyl peptide 1 receptor agonists 百时美施贵宝公司 2020-04-10 CN disclosed
WO-2018227067-A1 CYCLOPROPYL UREA FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-13 WO disclosed
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 US disclosed
CN-101448824-A 2,5-disubstituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2009-06-03 CN disclosed
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 WO disclosed
EP-1764363-A2 SUBSTITUTED ACETOPHENONEDERIVATIVES Riemser Arzneimittel AG (DE) 2007-03-21 EP disclosed
CN-1894233-A Amidomethyl-substituted 2-(4-sulfonylamino)-3-hydroxy-3,4-dihydro-2h-chromen-6-yl compounds, a process and intermediates for their production, and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 2007-01-10 CN disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed

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

For each of this compound's patents that has machine-readable text (4 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-11180490-B2 Cyclopropyl urea formyl peptide 2 receptor and formyl peptide 1 receptor agonists FPR1, FPR2, FPR3 ALDH1A1 4395/4885HPGD 1066/4885KDM4E 4709/4885
US-20200199113-A1 CYCLOPROPYL UREA FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS FPR1, FPR2, FPR3 ALDH1A1 4395/4885HPGD 1066/4885KDM4E 4709/4885
US-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 ALDH1A1 395/4885HPGD 198/4885KDM4E 2080/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 ALDH1A1 566/4885HPGD 208/4885KDM4E 2131/4885

“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.