SCHEMBL876479

SCHEMBL876479

O=C(O)c1ccc2c(c1)C=CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 1/20 0.51
SRD5A2 P31213 1/20 0.42
CYP2B6 P20813 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALOX5 P09917 1/20 0.41
STS P08842 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CA6 P23280 1/20 0.37
PTGS2 P35354 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL30027075 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1SRD5A2CYP2B6TDP1
SCHEMBL5765607 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1SRD5A2TDP1STS
SCHEMBL30387165 0.85 TSHR (0.53) ALDH1A1MAPK1CYP2B6STSTSHR
SCHEMBL786065 0.85 TSHR (0.53) ALDH1A1MAPK1CYP2B6STSTSHR
SCHEMBL6173194 0.83 ALDH1A1 (0.45) ALDH1A1MAPK1SRD5A2TDP1ALOX5
SCHEMBL7426544 0.82 ALDH1A1 (0.55) ALDH1A1MAPK1SRD5A2TDP1ALOX5
SCHEMBL19691119 0.82 CYP2B6 (0.39) ALDH1A1MAPK1SRD5A2CYP2B6STS
Terephthalic Acid SCHEMBL6682039 0.81 KDM4E (0.45) ALDH1A1MAPK1SRD5A2CYP2B6ALOX5
SCHEMBL27918004 0.81 CA12 (0.49) ALDH1A1MAPK1TDP1ALOX5KDM4E
SCHEMBL6901672 0.80 ALDH1A1 (0.49) ALDH1A1MAPK1SRD5A2TDP1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103764641-B The tricyclic compound of fractional saturation and preparation and application thereof 扎夫根股份有限公司 2016-10-26 CN claimed
CN-103249735-B Tricyclic compounds and methods of making and using the same ZAFGEN CORP. (US) 2016-04-06 CN claimed
CN-103764641-A Partially saturated tricyclic compounds and methods of making and using same ZAFGEN CORP 2014-04-30 CN claimed
CN-103249735-A Tricyclic compounds and methods of making and using the same ZAFGEN CORP 2013-08-14 CN claimed
CN-114981263-B Novel quercetin redox derivatives and use thereof as BET inhibitors 贝诺生物有限公司 2024-12-24 CN disclosed
WO-2024080780-A1 NOVEL INDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF 고려대학교 산학협력단 2024-04-18 WO disclosed
EP-4244371-A1 PRODUCTION OF CANNABINOIDS/PHYTOCANNABINOIDS WITH A PLANT EXTRACT Technische Universität Darmstadt (DE) 2023-09-20 EP disclosed
US-20230053152-A1 Novel Quercetin Redox Derivative And Use Thereof As BET Inhibitor BENOBIO CO., LTD. (KR) 2023-02-16 US disclosed
CN-114981263-A Novel quercetin redox derivatives and use thereof as BET inhibitors 贝诺生物有限公司 2022-08-30 CN disclosed
WO-2022101306-A1 PRODUCTION OF CANNABINOIDS/PHYTOCANNABINOIDS WITH A PLANT EXTRACT Technische Universität Darmstadt (DE) 2022-05-19 WO disclosed
EP-3873451-A1 CANNABINOID ANALOGS AND METHODS FOR THEIR PREPARATION BayMedica, Inc. (US) 2021-09-08 EP disclosed
WO-2021107656-A2 NOVEL QUERCETIN REDOX DERIVATIVE AND USE THEREOF AS BET INHIBITOR 주식회사 베노바이오 2021-06-03 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed
US-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease PHARMACIA & UPJOHN COMPANY 2003-07-10 US disclosed
WO-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 WO disclosed
EP-1109807-A1 BENZOYL DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Aventis CropScience GmbH (DE) 2001-06-27 EP disclosed
CN-1257489-A Substituted benzopyran derivatives for the treatment of inflammation SEARLE & CO (US) 2000-06-21 CN disclosed
WO-2000014087-A1 BENZOYL DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS AVENTIS CROPSCIENCE GMBH (DE) 2000-03-16 WO disclosed
CN-1084170-A Pyrazole derivatives IDEMITSU KOSAN CO (JP) 1994-03-23 CN 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 (2 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-20030130305-A1 Azabicyclic-phenyl-fused-heterocyclic compounds for treatment of disease TPMT, PAICS, MALT1 ALDH1A1 144/4885MAPK1 3474/4885SRD5A2 147/4885
US-20230053152-A1 Novel Quercetin Redox Derivative And Use Thereof As BET Inhibitor BET1, BRD4, BRD3 ALDH1A1 3281/4885MAPK1 1643/4885SRD5A2 2762/4885

“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.