SCHEMBL142686

SCHEMBL142686

C[C@]12CCC(=O)C=C1[C@H](O)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
HIF1A Q16665 13/20 0.73
HSD17B10 Q99714 8/20 0.73
CYP3A4 P08684 8/20 0.73
NR3C1 P04150 4/20 0.73
CYP2C19 P33261 4/20 0.73
PGR P06401 4/20 0.73
SERPINA6 P08185 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
SHBG P04278 2/20 0.73
NR3C2 P08235 2/20 0.73
MAPT P10636 1/20 0.73
NFKB1 P19838 1/20 0.73
ALDH1A1 P00352 2/20 0.67
TSHR P16473 2/20 0.67
CYP2C9 P11712 1/20 0.67
ABCB11 O95342 2/20 0.59
ABCC4 O15439 1/20 0.59
NR1I2 O75469 1/20 0.59
PDE4D Q08499 1/20 0.59

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
SCHEMBL142384 1.00 KMT2A (1.00) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL142385 1.00 KMT2A (1.00) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL10393880 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL137529 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL9458663 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL17714999 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL13150977 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL17726095 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL137530 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1
SCHEMBL6851992 0.91 KMT2A (0.84) KMT2AHIF1AHSD17B10CYP3A4NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230085402-A1 BIOMARKERS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-03-16 US claimed
US-20210401798-A1 LIPOXIN A4 ANALOGS AND USES THEREOF THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2021-12-30 US claimed
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2020-02-04 US claimed
US-10088490-B2 Assay for analytes using multiple receptors SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2018-10-02 US claimed
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-08 US claimed
US-20170112792-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2017-04-27 US claimed
WO-2016145186-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2016-09-15 WO claimed
WO-2015143190-A1 ENHANCED ATRA-RELATED COMPOUNDS DERIVED FROM STRUCTURE-ACTIVITY RELATIONSHIPS AND MODELING FOR INHIBITING PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2015-09-24 WO claimed
US-20150087677-A1 METHODS FOR TREATING VESTIBULOTOXICTY SENSORION (FR) 2015-03-26 US claimed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US claimed
CN-1599613-A Combination therapy for the treatment of immunoinflammatory disorders COMBINATORX INC (US) 2005-03-23 CN claimed
EP-1448205-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS Combinatorx, Incorporated (US) 2004-08-25 EP claimed
US-20040106216-A1 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods TOYO BOSEKI KABUSHIKI KAISHA (JP) 2004-06-03 US claimed
US-20040072732-A1 Use of ramoplanin to treat diseases associated with the use of antibiotics NANOSHIFT, LLC 2004-04-15 US claimed
US-20040022728-A1 In vivo phenotyping for human cytochrome P450 3A activity FURUTA TAKASHI (JP) 2004-02-05 US claimed
EP-1378751-A2 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods Toyo Boseki Kabushiki Kaisha (JP) 2004-01-07 EP claimed
WO-2003103699-A1 USE OF RAMOPLANIN TO TREAT DISEASES ASSOCIATED WITH THE USE OF ANTIBIOTICS VICURON PHARMACEUTICALS INC. (US) 2003-12-18 WO claimed
WO-2003092617-A2 COMBINATIONS FOR THE TREATMENT OF INFLAMMATORY SKIN DISORDERS COMBINATORX, INCORPORATED (US) 2003-11-13 WO claimed
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders ZALICUS INC. 2003-06-26 US claimed
WO-2003030823-A2 COMBINATIONS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS COMBINATORX, INCORPORATED (US) 2003-04-17 WO 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 (5 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-20210401798-A1 LIPOXIN A4 ANALOGS AND USES THEREOF LTA4H, ALOX15B, LTB4R KMT2A 3618/4885HIF1A 1354/4885HSD17B10 563/4885
US-20030119786-A1 Combinations for the treatment of immunoinflammatory disorders IL5, TSLP, TPMT KMT2A 3786/4885HIF1A 1616/4885HSD17B10 1328/4885
US-10548864-B2 Enhanced ATRA-related compounds for the treatment of proliferative diseases, autoimmune diseases, and addiction conditions PIN1, RARB, RARA KMT2A 1138/4885HIF1A 836/4885HSD17B10 2708/4885
US-20180064666-A1 ENHANCED ATRA-RELATED COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISEASES, AUTOIMMUNE DISEASES, AND ADDICTION CONDITIONS PIN1, RARB, RARA KMT2A 1138/4885HIF1A 836/4885HSD17B10 2708/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP KMT2A 3089/4885HIF1A 1602/4885HSD17B10 2384/4885

“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.