SCHEMBL1950367

SCHEMBL1950367

CC(C)Cc1c(C(=O)O)ccc(C(=O)O)c1CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
AKR1C2 P52895 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ADRB3 P13945 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42

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
SCHEMBL3430274 0.90 SELL (0.44) CYP1A2PTGS1PTGS2LMNACYP2C9
SCHEMBL6014068 0.88 PTGS1 (0.42) CYP1A2PTGS1PTGS2LMNACYP2C9
SCHEMBL32680301 0.88 CYP1A2 (0.38) CYP1A2PTGS1PTGS2LMNACYP2C9
SCHEMBL3391567 0.87 ALDH1A1 (0.46) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL39596 0.85 SELL (0.52) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6902769 0.84 CYP1A2 (0.42) CYP1A2CYP2C9AKR1C2ALDH1A1TSHR
SCHEMBL10397924 0.84 SELL (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6443243 0.83 LMNA (0.39) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6575369 0.81 ACE2 (0.41) CYP1A2AKR1C2ALDH1A1AKR1C1ALOX15
SCHEMBL6451346 0.81 MAPT (0.42) CYP1A2ALDH1A1ALOX15KDM4EACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168465-B1 ASPHALT COMPOSITION COMPRISING A MIXTURE OF AN ISOCYANATE AND A PLASTICIZER AS PERFORMANCEADDITIVES BASF SE (DE) 2025-04-16 EP claimed
EP-2134671-B1 LOW-MELTING MIXTURES OF DI-N-BUTYL AND DIISOBUTYL TEREPHTHALATE EASTMAN CHEM CO (US) 2018-06-06 EP claimed
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
US-4897210-A Lithium complex grease thickener and high dropping point thickened grease PENNZOIL PRODUCTS COMPANY (US) 1990-01-30 US claimed
US-11155675-B2 Method of regioselective synthesis of polyesters from asymmetric diols VERSALIS S.P.A. (IT) 2021-10-26 US disclosed
EP-2185609-B1 GAS-PHASE POLYMERIZATION PROCESS GRACE W R & CO (US) 2021-01-27 EP disclosed
EP-3491044-B1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS SPA (IT) 2020-08-26 EP disclosed
US-20200181319-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS S.P.A. (IT) 2020-06-11 US disclosed
EP-3491054-A1 PLASTICIZER COMPOSITION BASF SE (DE) 2019-06-05 EP disclosed
EP-3491044-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS Versalis S.p.A. (IT) 2019-06-05 EP disclosed
WO-2018020440-A9 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS S.P.A. (IT) 2019-03-07 WO disclosed
WO-2018158291-A1 COATING AGENT COMPOSITION CONTAINING PVC AND PLASTICIZING COMPONENTS BASF SE (DE) 2018-09-07 WO disclosed
EP-1395364-A1 IMPROVED OLEFIN POLYMERIZATION CATALYST COMPOSITIONS AND METHOD OF PREPARATION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-03-10 EP disclosed
US-20030064882-A1 Olefin polymerization catalyst compositions and method of preparation UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2003-04-03 US disclosed
WO-2002096558-A1 IMPROVED OLEFIN POLYMERIZATION CATALYST COMPOSITIONS AND METHOD OF PREPARATION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY COR PORATION (US) 2002-12-05 WO disclosed
EP-1194396-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-04-10 EP disclosed
WO-2000078704-A1 SELECTED CYCLOHEXANE-1,3- AND 1,4-DICARBOXYLIC ACID ESTERS BASF AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
EP-0072915-B1 PROCESS FOR PREPARING 2,4,6-TRIISOCYANATOTOLUENE BASF Aktiengesellschaft (DE) 1986-05-21 EP disclosed
EP-0072915-A2 Process for preparing 2,4,6-triisocyanatotoluene BASF Aktiengesellschaft (DE) 1983-03-02 EP disclosed
US-4120803-A Lubricant composition containing a dispersant which is a condensation product of a copolymer, polyamine and a polycarboxylic acid ETHYL CORPORATION (US) 1978-10-17 US disclosed