SCHEMBL2590567

SCHEMBL2590567

CC(C)c1cc(C(C)C)c(C=O)c(C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.52
FABP3 P05413 2/20 0.52
FABP5 Q01469 1/20 0.52
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
TYR P14679 2/20 0.43
ALDH1A1 P00352 2/20 0.37
ALB P02768 2/20 0.36
GAA P10253 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
LDHA P00338 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3960756 0.86 GABRA1 (0.57) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL12030880 0.81 ALB (0.43) FABP4FABP3FABP5TYRALDH1A1
SCHEMBL841601 0.79 GABRA1 (0.52) FABP4FABP3FABP5GABRA1TYR
SCHEMBL1711083 0.76 FABP4 (0.47) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL7979463 0.76 TYR (0.43) FABP4FABP3FABP5TYRALDH1A1
SCHEMBL7026756 0.76 ERN1 (0.47) TYRALDH1A1LMNAAKR1B1HTT
Hydrochloric Acid SCHEMBL5516827 0.75 FABP4 (0.50) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL28091181 0.74 TYR (0.57) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL9945901 0.74 TYR (0.41) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL9369688 0.74 FABP4 (0.56) FABP4FABP3FABP5GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PHOSPHOENIX SARL (FR) 2010-04-22 US claimed
EP-1899358-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS Phosphoenix SARL (FR) 2008-03-19 EP claimed
US-7192983-B2 Improving storage stability by reacting with hydrogen sulfate lithium- containing compound; aspartyl protease inhibitors G.D. SEARLE & CO. (US) 2007-03-20 US claimed
WO-2006136695-A2 NOVEL P-CHIRAL FUNCTIONALISED ARYLPHOSPHINES AND DERIVATIVES, THE PREPARATION AND USE THEREOF FOR ASYMMETRICAL CATALYSIS PHOSPHOENIX SARL (FR) 2006-12-28 WO claimed
US-20060074247-A1 N-protected/N-substituted-beta-amino hydroxy sulfonates G.D. SEARLE & CO. (US) 2006-04-06 US claimed
US-6586627-B1 Blocking carbocyclic oxo, amines such as 2-(bis(phenylmethyl) amino)-3-phenylpropanal to form 2-(Bis(phenylmethyl)amino)-1-hydroxy-3-phenylpropylsulfonic Acid Salts, having storage stability; chemical intermediates for enzyme inhibitors G. D. SEARLE & CO. 2003-07-01 US claimed
US-6147253-A STABILIZED FORM OF N-PROTECTED/N-SUBSTITUTED ALPHA-AMINO ALDEHYDES G. D. SEARLE & CO. (US) 2000-11-14 US claimed
EP-0861233-B1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES SEARLE & CO (US) 2000-05-03 EP claimed
US-5939587-A DEBLOCKING, DESALTING, DESULFONATING AND OXIDATING TO ALDEHYDE; STORAGE STABILITY, MATERIALS HANDLING G. D. SEARLE & COMPANY (US) 1999-08-17 US claimed
US-5847201-A N-protected/N-substituted-beta-amino hydroxy sulfonates G.D. SEARLE & CO. (US) 1998-12-08 US claimed
EP-0861233-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1998-09-02 EP claimed
WO-1997018190-A1 N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES G.D. SEARLE & CO. (US) 1997-05-22 WO claimed
CN-107690436-B Method for forming complexes, complexes and use thereof 庄信万丰股份有限公司 2023-12-22 CN disclosed
US-9714339-B2 Rubber composition comprising an epoxy resin and a polyimine hardener COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-07-25 US disclosed
US-9663633-B2 Composition based on natural rubber and on a polyaldimine compound COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2017-05-30 US disclosed
CN-104487503-B Comprise epoxy resin and the rubber composition of polyimides sclerosing agent 米其林集团总公司 2016-10-26 CN disclosed
WO-1995014653-A1 METHOD FOR MAKING INTERMEDIATES USEFUL IN SYNTHESIS OF RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-01 WO disclosed
US-4622429-A ACYLATION OF BENZENES BAYER AKTIENGESELLSCHAFT (DE) 1986-11-11 US disclosed
EP-0064690-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED BENZALDEHYDES BAYER AG (DE) 1985-03-13 EP disclosed
EP-0064690-A1 Process for the preparation of substituted benzaldehydes BAYER AG (DE) 1982-11-17 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 (2 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-20100099875-A1 NEW ORTHO-FUNCTIONALIZED P-CHIRAL ARYLPHOSPHINES AND DERIVATIVES: THEIR PREPARATION AND USE IN ASYMMETRIC CATALYSIS PNP, NANP, PHOSPHO1 FABP4 964/4885FABP3 1062/4885FABP5 1249/4885
US-20060074247-A1 N-protected/N-substituted-beta-amino hydroxy sulfonates AANAT, AASDHPPT, ALDH7A1 FABP4 2391/4885FABP3 902/4885FABP5 1582/4885

“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.