SCHEMBL130930

SCHEMBL130930

CCOc1ccc2cc(C)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
CYP2A6 P11509 3/20 0.56
NQO1 P15559 1/20 0.54
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
TDP1 Q9NUW8 3/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
CYP19A1 P11511 1/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 3/20 0.45

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
SCHEMBL2623676 0.96 CYP2A6 (0.56) CYP1A2CYP2A6NQO1AKR1C3AKR1C2
SCHEMBL12934609 0.96 CYP1A2 (0.52) CYP1A2CYP2A6NQO1AKR1C3AKR1C2
SCHEMBL3825385 0.89 NQO1 (0.68) CYP1A2NQO1AKR1C3AKR1C2CA12
SCHEMBL29629327 0.89 NQO1 (0.68) CYP1A2NQO1AKR1C3AKR1C2CA12
SCHEMBL23458226 0.84 NQO1 (0.62) CYP1A2NQO1AKR1C3AKR1C2CA12
SCHEMBL3821099 0.84 NQO1 (0.62) CYP1A2NQO1AKR1C3AKR1C2CA12
SCHEMBL29779700 0.84 NQO1 (0.62) CYP1A2NQO1AKR1C3AKR1C2CA12
SCHEMBL12749012 0.83 CYP2A6 (0.52) CYP1A2CYP2A6CA12CA1CA4
SCHEMBL12431874 0.83 CYP2A6 (0.52) CYP1A2CYP2A6CA12CA1CA4
SCHEMBL16807626 0.82 CYP1A2 (0.47) CYP1A2CYP2A6AKR1C3AKR1C2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
WO-2023111990-A1 SELECTIVE PHD1 INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE AKEBIA THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2021-12-30 US disclosed
US-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-10-15 US disclosed
US-10322130-B2 Substituted chromenones as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-06-18 US disclosed
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-04-11 US disclosed
US-10220035-B2 Compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-03-05 US disclosed
EP-3444242-A2 NOVEL BENZOPYRAN KINASE MODULATORS Rhizen Pharmaceuticals S.A. (CH) 2019-02-20 EP disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
EP-2399585-A1 Boronic acids and esters as inhibitors of fatty acid amide hydrolase Infinity Pharmaceuticals, Inc. (US) 2011-12-28 EP disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
US-20110118257-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS SA (CH) 2011-05-19 US disclosed
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-7514452-B2 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD (JP) 2009-04-07 US disclosed
US-7416791-B1 Osmium complexes and related organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2008-08-26 US disclosed
US-7416791-B1 Osmium complexes and related organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2008-08-26 US disclosed
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 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 (9 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-10442783-B2 2,3-disubstituted chromen-4-one compounds as modulators of protein kinases PIK3CB, PIK3CD, PDPK1 CYP1A2 3691/4885CYP2A6 3615/4885NQO1 2700/4885
US-20210401840-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB CYP1A2 4618/4885CYP2A6 4409/4885NQO1 2272/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP1A2 572/4885CYP2A6 1430/4885NQO1 79/4885
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKAR2B CYP1A2 3432/4885CYP2A6 3359/4885NQO1 2529/4885
US-10220035-B2 Compounds as modulators of protein kinases PRKCA, PRKCH, PRKCE CYP1A2 4557/4885CYP2A6 4333/4885NQO1 2064/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB CYP1A2 4618/4885CYP2A6 4409/4885NQO1 2272/4885
US-20110118257-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB CYP1A2 4696/4885CYP2A6 4398/4885NQO1 2649/4885
US-10322130-B2 Substituted chromenones as modulators of protein kinases MAP3K1, CSNK1A1, MAP3K2 CYP1A2 664/4885CYP2A6 1880/4885NQO1 1839/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CYP1A2 2024/4885CYP2A6 3540/4885NQO1 1542/4885

“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.