SCHEMBL14819

SCHEMBL14819

Cc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.41
WNT3A P56704 3/20 0.41
NOTUM Q6P988 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
KIF11 P52732 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
GPR3 P46089 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 3/20 0.36
RAD52 P43351 1/20 0.36
ATM Q13315 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
SCHEMBL423132 0.86 KIF11 (0.40) KIF11RXRAGRIN1GRIN2BKDM4E
SCHEMBL2666085 0.84 TSHR (0.37) CTNNB1WNT3AKDM4ERAD52ATM
SCHEMBL25841010 0.83 KDM4E (0.34) KDM4ERAD52ATMMMP12
SCHEMBL21583090 0.83 KDM4E (0.34) KDM4ERAD52ATMMMP12
SCHEMBL9062743 0.79 MMP12 (0.35) KIF11KDM4ERAD52ATMMMP12
SCHEMBL15869808 0.79 KDM4E (0.43) KDM4ERAD52ATMMMP12
SCHEMBL8167005 0.79 TSHR (0.59) KIF11NPC1RAB9AKDM4EATM
SCHEMBL4944753 0.78 KIF11 (0.36) KIF11KDM4ERAD52ATMMMP12
SCHEMBL10920833 0.77 MMP12 (0.35) NPC1RAB9AKDM4ERAD52ATM
SCHEMBL25726843 0.77 MMP12 (0.35) KIF11KDM4ERAD52ATMMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
EP-3730494-B1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2023-11-08 EP disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
US-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) INVENTISBIO LLC 2023-10-26 US disclosed
US-20230331686-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
US-20230331686-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-19 US disclosed
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 WO disclosed
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-10-17 US disclosed
EP-3483144-B1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2023-10-11 EP disclosed
WO-2005087727-A1 NOVEL ALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
EP-1229034-B1 Nicotinamide derivatives and their mimetics as inhibitors of PDE4 isozymes PFIZER PROD INC (US) 2005-04-13 EP disclosed
US-4596880-A Pesticides BAYER AKTIENGESELLSCHAFT (DE) 1986-06-24 US disclosed
EP-0006978-B1 BENZYL ESTERS WITH FLUORINATED ETHER AND/OR THIOETHER GROUPS, THEIR PREPARATIONS AND THEIR USE AS INSECTICIDES; INTERMEDIATE PRODUCTS AND THEIR PREPARATIONS BAYER AG (DE) 1986-01-29 EP disclosed
US-4438275-A 2,2-DIFLUORO-BENZODIOXOLES BAYER AKTIENGESELLSCHAFT (DE) 1984-03-20 US disclosed
US-4310540-A PYRETHROID-LIKE COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1982-01-12 US disclosed
EP-0006978-A2 Benzyl esters with fluorinated ether and/or thioether groups, their preparations and their use as insecticides; intermediate products and their preparations BAYER AG (DE) 1980-01-23 EP disclosed
US-4110345-A 2,2-Difluoro-1,3-benzodioxole-5-(α-alkyl)-acetic acids, and their use for the preparation of insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1978-08-29 US disclosed
US-4105780-A Insecticidal and acaricidal m-phenoxybenzyl esters of 2,2-difluoro-1,3-benzodioxole-5-(α-alkyl)acetic acids AMERICAN CYANAMID COMPANY (US) 1978-08-08 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 (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-20230338373-A1 INHIBITOR OF INDOLEAMINE-2,3-DIOXYGENASE (IDO) IDO1, IDO2, INMT CTNNB1 3740/4885WNT3A 2251/4885NOTUM 1849/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 CTNNB1 1584/4885WNT3A 2197/4885NOTUM 2013/4885
US-11787798-B2 Aryl piperidines as monoacylglycerol lipase modulators MGLL, LPL, PNLIP CTNNB1 2997/4885WNT3A 4008/4885NOTUM 1643/4885
US-20230331686-A1 AMINOCYCLOBUTANES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, DAGLB, FAAH CTNNB1 861/4885WNT3A 3095/4885NOTUM 1201/4885
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 CTNNB1 3817/4885WNT3A 4631/4885NOTUM 764/4885

“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.