SCHEMBL21281

SCHEMBL21281

[c]1ccc(OC2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
HRH1 P35367 1/20 0.41
HPGD P15428 1/20 0.39
FURIN P09958 2/20 0.38
FFAR1 O14842 1/20 0.36
ALOX12 P18054 1/20 0.36
EPHX2 P34913 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2924302 0.98 PARP10 (0.43) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL676960 0.98 PARP10 (0.43) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL22392 0.98 PARP10 (0.43) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL27560412 0.96 PARP10 (0.42) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL231982 0.95 PARP10 (0.48) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL333383 0.91 HRH1 (0.43) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL6529789 0.89 PARP10 (0.41) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL4353074 0.86 PARP10 (0.39) PARP10ALDH1A1TSHRHRH3HRH1
SCHEMBL14775243 0.86 HRH1 (0.56) PARP10HRH3HRH1
SCHEMBL1895833 0.81 HRH1 (0.66) HRH3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
CN-114921801-B Method for directly hydroxyaryl benzylic carbon through paired electrochemical series reaction 西南大学 2023-08-04 CN claimed
CN-114921801-A Method for directly hydroxylating benzylic carbon by pairing electrochemical series reaction 西南大学 2022-08-19 CN claimed
CN-105218532-B Benzotriazole compound, preparation method and its medical usage 华东师范大学 2018-05-15 CN claimed
CN-105218532-A Benzotriazole compounds, preparation method and its medicinal use UNIV EAST CHINA NORMAL 2016-01-06 CN claimed
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
CN-102803210-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-11-28 CN claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US claimed
WO-2002059082-A2 ARYL AND AMINOARYL SUBSTITUTED SEROTONIN RECEPTOR AGONIST AND ANTAGONIST LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO claimed
WO-2002059124-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO claimed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO claimed
WO-2002059127-A2 PYRAZINOQUINOXALINE DERIVATIVES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-08-01 WO claimed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP claimed
EP-1189904-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 EP claimed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed
WO-2000077002-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO claimed
WO-2000071572-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2000-11-30 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 (3 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-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS CSNK1A1, CSNK1D, CSNK1G1 PARP10 2294/4885ALDH1A1 1318/4885TSHR 4243/4885
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 PARP10 2375/4885ALDH1A1 2258/4885TSHR 305/4885
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA PARP10 2023/4885ALDH1A1 364/4885TSHR 2931/4885

“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.