SCHEMBL2188276

SCHEMBL2188276

COC(=O)c1ccc(Oc2ccc(OC)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.88
CA2 P00918 6/20 0.88
MAPT P10636 3/20 0.68
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
PARP10 Q53GL7 2/20 0.66
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
CA12 O43570 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
PLK1 P53350 1/20 0.57
PARP1 P09874 1/20 0.55
PARP2 Q9UGN5 1/20 0.55
PARP4 Q9UKK3 1/20 0.55

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
SCHEMBL69218 0.94 CA1 (0.75) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL231243 0.94 CA1 (1.00) CA1CA2MAPTKMT2AKDM4E
SCHEMBL16573856 0.93 CA1 (0.75) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL27405603 0.91 CA1 (0.95) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL28248974 0.89 CA1 (0.91) CA1CA2MAPTKMT2AKDM4E
SCHEMBL269558 0.88 CA1 (0.88) CA1CA2MAPTKMT2AKDM4E
SCHEMBL2273711 0.88 CA1 (0.88) CA1CA2MAPTKMT2AKDM4E
SCHEMBL9731450 0.88 CA1 (0.67) CA1CA2MAPTKMT2AKDM4E
Methyl 4-Methoxybenzoate SCHEMBL27540366 0.88 CA1 (0.88) CA1CA2MAPTKMT2AKDM4E
SCHEMBL16604876 0.88 CA1 (0.88) CA1CA2MAPTKMT2AKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-8748621-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2014-06-10 US disclosed
US-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ADDEX PHARMA, S.A. (CH) 2012-12-06 US disclosed
US-8252937-B2 1,3-disubstituted 4-(aryl-X-phenyl)-1H-pyridin-2-ones Janssen Pharmaceuticals, Inc. (US) 2012-08-28 US disclosed
EP-2200985-B1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO MCNEIL JANSSEN PHARM (US) 2011-07-13 EP disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
EP-2200985-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2010-06-30 EP disclosed
WO-2009033702-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO 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 (4 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-20120309793-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 CA1 4254/4885CA2 1717/4885MAPT 2209/4885
US-20210053935-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 CA1 3785/4885CA2 265/4885MAPT 2178/4885
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 CA1 4254/4885CA2 1717/4885MAPT 2209/4885
US-11370771-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 CA1 3785/4885CA2 265/4885MAPT 2178/4885

“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.