SCHEMBL6575369

SCHEMBL6575369

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.41
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
ALOX15 P16050 1/20 0.34
KAT2B Q92831 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL6574116 0.85 ACE2 (0.35) ACE2CYP1A2ALDH1A1TRPA1CA12
SCHEMBL6451346 0.84 MAPT (0.42) ACE2CYP1A2ALDH1A1CA12CA1
SCHEMBL8070751 0.82 POLB (0.38) ALDH1A1TRPA1KAT2BKDM4EMAPT
SCHEMBL1950367 0.81 CYP1A2 (0.44) ACE2CYP1A2ALDH1A1ALOX15KDM4E
SCHEMBL6902769 0.79 CYP1A2 (0.42) ACE2CYP1A2ALDH1A1CA12CA1
SCHEMBL6444607 0.77 ALDH1A1 (0.48) ACE2ALDH1A1CA1GABRPGABRD
SCHEMBL7758673 0.76 FOLH1 (0.49) ALDH1A1TRPA1CA12CA1CA2
Phthalic Acid SCHEMBL28282618 0.76 TRPA1 (0.52) CYP1A2ALDH1A1TRPA1ALOX15RAB9A
Phthalic Acid SCHEMBL28859368 0.75 ALDH1A1 (0.61) ALDH1A1TRPA1CA12CA1CA2
Phthalic Acid SCHEMBL29613048 0.75 ALDH1A1 (0.61) ALDH1A1TRPA1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056795-B1 Compositions based on 2-methyl-1,3-propanediol and a phthalic acid ARCO CHEM TECH (US) 2004-04-28 EP claimed
EP-1056795-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO Chemical Technology, L.P. (US) 2000-12-06 EP claimed
WO-1999042512-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-08-26 WO claimed
US-5880225-A COMPOSITION COMPRISING 2-METHYL-1,3-PROPANEDIOL, GLYCOL ESTER DERIVED FROM SAID DIOL AND PHTHALIC ACID DERIVATIVE ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-03-09 US claimed
EP-1056795-B1 Compositions based on 2-methyl-1,3-propanediol and a phthalic acid ARCO CHEM TECH (US) 2004-04-28 EP disclosed
EP-1217022-B1 Process for making polyetherester resins with high aromatic ester content ARCO CHEM TECH (US) 2004-04-28 EP disclosed
US-6419709-B1 SUSTAINED RELEASE; DRUG DELIVERY; USING POLYESTER GUILFORD PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-1217022-A2 Process for making polyetherester resins with high aromatic ester content ARCO Chemical Technology, L.P. (US) 2002-06-26 EP disclosed
EP-1056795-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO Chemical Technology, L.P. (US) 2000-12-06 EP disclosed
WO-1999042512-A1 PROCESS FOR MAKING POLYETHERESTER RESINS WITH HIGH AROMATIC ESTER CONTENT ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-08-26 WO disclosed
US-5880225-A COMPOSITION COMPRISING 2-METHYL-1,3-PROPANEDIOL, GLYCOL ESTER DERIVED FROM SAID DIOL AND PHTHALIC ACID DERIVATIVE ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1999-03-09 US disclosed
US-5843609-A Polyester toner microspheres for electrophotographic imaging systems HOECHST CELANESE CORP. (US) 1998-12-01 US disclosed