SCHEMBL321834

SCHEMBL321834

COc1cccc(-c2ccccc2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.57
TDP1 Q9NUW8 1/20 0.51
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2E1 P05181 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP4B1 P13584 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP3A5 P20815 2/20 0.50
CYP2A7 P20853 2/20 0.50
CYP3A7 P24462 2/20 0.50
CYP2F1 P24903 2/20 0.50
CYP2C18 P33260 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2J2 P51589 2/20 0.50
CYP4F2 P78329 2/20 0.50

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
Methyl Alcohol SCHEMBL27555715 0.96 CASR (0.54) CASRTDP1CYP1A1CYP1A2CYP2E1
SCHEMBL2020140 0.88 ABL1 (0.59) TDP1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL163034 0.87 CD274 (0.52) CASRCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL11344051 0.86 HTR7 (0.50) CASRTDP1HTR7MAOB
SCHEMBL7875089 0.85 RAPGEF4 (0.55) CASRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL13241129 0.85 BRD4 (0.51) CASRCYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL12687096 0.85 CYP1A1 (0.55) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8
SCHEMBL16890215 0.85 HTR7 (0.49) CASRTDP1CYP1A1CYP1A2CYP2E1
SCHEMBL3455245 0.84 ABL1 (0.60) TDP1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL13211663 0.84 ABL1 (0.60) CYP1A1CYP1A2CYP2E1CYP3A4CYP2C8

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-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-06 US claimed
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-01-13 US claimed
US-7759338-B2 Soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-07-20 US claimed
EP-2152080-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF The Regents of the University of Michigan (US) 2010-02-17 EP claimed
WO-2008133635-A1 NOVEL SOLUBLE 1,4 BENZODIAZEPINE COMPOUNDS AND STABLE SALTS THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-11-06 WO claimed
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-03-13 US claimed
EP-0063374-B1 SUBSTITUTED BIPHENYL COMPOUNDS FMC Corporation (US) 1984-02-22 EP claimed
WO-2022076820-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-04-14 WO disclosed
US-20210351364-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE SK MATERIALS JNC CO., LTD. (KR) 2021-11-11 US disclosed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-2318367-B1 PIPERIDINE AND PYRROLIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
EP-1240906-A1 PREVENTIVES OR REMEDIES FOR ARRHYTHMIA SHIONOGI & CO., LTD. (JP) 2002-09-18 EP disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP 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 (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-20110245238-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 CASR 910/4885TDP1 2233/4885CYP1A1 1236/4885
US-20080064686-A1 Novel soluble 1,4 benzodiazepine compounds and stable salts thereof GABRA4, BAD, GABRA1 CASR 910/4885TDP1 2233/4885CYP1A1 1236/4885
US-20110009393-A1 Novel Soluble 1,4 Benzodiazepine Compounds and Stable Salts Thereof GABRA4, BAD, GABRA1 CASR 910/4885TDP1 2233/4885CYP1A1 1236/4885

“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.