SCHEMBL113091

SCHEMBL113091

Cc1c(C)c(C(=O)O)c2ccccc2c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.62
TSHR P16473 1/20 0.56
DHODH Q02127 5/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MYC P01106 2/20 0.47
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EGFR P00533 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL1905106 0.93 PDE10A (0.56) PDE10ATSHRDHODHKMT2AMEN1
SCHEMBL31128390 0.89 PDE10A (0.52) PDE10ATSHRDHODHKMT2AMEN1
SCHEMBL497403 0.89 PDE10A (0.52) PDE10ATSHRDHODHKMT2AMEN1
SCHEMBL4570683 0.88 KDM4E (0.56) PDE10ATSHRDHODHKMT2AMEN1
SCHEMBL655431 0.85 PDE10A (0.57) PDE10ATSHRDHODHKMT2AMEN1
Benzene SCHEMBL10558251 0.84 KDM4E (0.68) PDE10ATSHRDHODHKMT2AMEN1
SCHEMBL29599456 0.84 KDM4E (0.68) PDE10ATSHRDHODHKMT2AMEN1
SCHEMBL70004 0.84 KDM4E (0.68) PDE10ATSHRDHODHKMT2AMEN1
Cyclohexane SCHEMBL15141699 0.83 PDE10A (0.47) PDE10ATSHRDHODHKMT2AMEN1
SCHEMBL4790078 0.83 PDE10A (0.51) PDE10ATSHRDHODHKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117402332-A Modified heat-resistant PET copolyester with high impact strength and high transparency and preparation method thereof 中国科学院化学研究所 2024-01-16 CN claimed
CN-115246923-B Wide-color-gamut high-performance fluorescent copolyester and synthetic method and application thereof 中国科学院化学研究所 2023-11-28 CN claimed
CN-115806658-B Polyester and preparation method and application thereof 珠海万通化工有限公司 2023-11-03 CN claimed
CN-115806659-B Semi-aromatic polyether ester and preparation method and application thereof 珠海万通化工有限公司 2023-11-03 CN claimed
CN-115806658-A Polyester and preparation method and application thereof 珠海万通化工有限公司 2023-03-17 CN claimed
US-20140051780-A1 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM w-HYDROXY FATTY ACIDS SYNTHEZYME LLC (US) 2014-02-20 US claimed
US-20130131222-A1 POLYURETHANE POLYMERS COMPRISING COPOLYESTER POLYOLS HAVING REPEAT UNITS DERIVED FROM BIOBASED HYDROXYFATTY ACIDS SYNTHEZYME LLC (US) 2013-05-23 US claimed
EP-2545093-A2 POLYURETHANE POLYMERS COMPRISING COPOLYESTER POLYOLS HAVING REPEAT UNITS DERIVED FROM BIOBASED -HYDROXYFATTY ACIDS Synthezyme LLC (US) 2013-01-16 EP claimed
EP-2536776-A2 COPOLYESTERS HAVING REPEAT UNITS DERIVED FROM -HYDROXY FATTY ACIDS Synthezyme LLC (US) 2012-12-26 EP claimed
EP-1789470-B1 COPOLYETHERESTER COMPOSITIONS CONTAINING HYDROXYALKANOIC ACIDS AND SHAPED ARTICLES PRODUCED THEREFROM DU PONT (US) 2012-10-31 EP claimed
US-20050171250-A1 Aliphatic-aromatic polyesters, and articles made therefrom DUPONT INDUSTRIAL BIOSCIENCES USA, LLC 2005-08-04 US claimed
WO-2005012390-A1 SULFONATED ALIPHATIC-AROMATIC COPOLYESTERS AND SHAPED ARTICLES PRODUCED THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-02-10 WO claimed
US-20050027098-A1 Sulfonated aliphatic-aromatic copolyesters and shaped articles produced therefrom DUPONT POLYMERS, INC. 2005-02-03 US claimed
EP-0920608-B1 ON-LINE QUANTITATIVE ANALYSIS OF CHEMICAL COMPOSITIONS BY RAMAN SPECTROMETRY EASTMAN CHEM CO (US) 2005-01-26 EP claimed
WO-2005003209-A1 ALIPHATIC-AROMATIC POLYESTHERESTER COMPOSITIONS, ARTICLES, FILMS, COATING AND LAMINATES AND PROCESSES FOR PRODUCING SAME E.I. DUPONT DE NEMOURS AND COMPANY (US) 2005-01-13 WO claimed
US-20040254332-A1 ALIPHATIC-AROMATIC POLYETHERESTER COMPOSITIONS, ARTICLES, FILMS, COATING AND LAMINATES AND PROCESSES FOR PRODUCING SAME DUPONT INDUSTRIAL BIOSCIENCES USA, LLC 2004-12-16 US claimed
US-6818730-B2 Process to produce polyesters which incorporate isosorbide E. I. DU PONT DE NEMOURS AND COMPANY 2004-11-16 US claimed
US-20030204029-A1 Process to produce polyesters which incorporate isosorbide E. I. DU PONT DE NEMOURS AND COMPANY 2003-10-30 US claimed
EP-0335818-A2 Modified polyethylene naphthalate SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-04 EP claimed
US-4798883-A Modified polyethylene naphthalate THE GOODYEAR TIRE & RUBBER COMPANY (US) 1989-01-17 US claimed