SCHEMBL4078780

SCHEMBL4078780

O=C(O)c1ccc2c(CCO)c(C(=O)O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
ACE2 Q9BYF1 2/20 0.43
KDM4E B2RXH2 2/20 0.39
GRIN2D O15399 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2C Q14957 2/20 0.39
GPR35 Q9HC97 2/20 0.39
POLB P06746 1/20 0.39
GRIN2B Q13224 1/20 0.38
DHODH Q02127 2/20 0.38
FOLH1 Q04609 1/20 0.37
TSHR P16473 1/20 0.37
PTPN11 Q06124 1/20 0.37
PARP1 P09874 1/20 0.36
MYC P01106 1/20 0.36
PLA2G2D Q9UNK4 1/20 0.36

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
SCHEMBL7093595 0.81 RARB (0.50) PTPN1PTPN11
SCHEMBL465154 0.80 MCL1 (0.42) KDM4E
SCHEMBL5666986 0.79 PTPN1 (0.44) PTPN1ACE2KDM4EGRIN2DGRIN2A
SCHEMBL7765600 0.79 PTPN1 (0.50) PTPN1ACE2KDM4EGRIN2DGRIN2A
SCHEMBL18917572 0.79 WDR5 (0.58) KDM4EGPR35POLB
SCHEMBL5668303 0.78 PTPN1 (0.43) PTPN1ACE2KDM4EGRIN2DGRIN2A
SCHEMBL1336380 0.77 PTPN1 (0.41) PTPN1ACE2KDM4EGRIN2DGRIN2A
SCHEMBL7088722 0.75 PTPN1 (0.64) PTPN1KDM4EGRIN2DGRIN2AGRIN2C
SCHEMBL125463 0.75 CYP1A2 (0.48) PTPN1KDM4EFOLH1TSHR
SCHEMBL29664884 0.75 CYP1A2 (0.48) PTPN1KDM4EFOLH1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891130-A4 HIGH INTRINSIC VISCOSITY MELT PHASE POLYESTER POLYMERS WITH ACCEPTABLE ACETALDEHYDE GENERATION RATES EASTMAN CHEM CO (US) 2009-08-05 EP disclosed
EP-1891130-A2 HIGH INTRINSIC VISCOSITY MELT PHASE POLYESTER POLYMERS WITH ACCEPTABLE ACETALDEHYDE GENERATION RATES EASTMAN CHEMICAL COMPANY (US) 2008-02-27 EP disclosed
WO-2006138406-A2 HIGH INTRINSIC VISCOSITY MELT PHASE POLYESTER POLYMERS WITH ACCEPTABLE ACETALDEHYDE GENERATION RATES EASTMAN CHEMICAL COMPANY (US) 2006-12-28 WO disclosed
US-6642407-B2 Esterifying the crude aryldicarboxylic acid with an alcohol, removing volatile impurities from the esterification effluent by distillation and separating the aryldicarboxylic acid ester from said effluent EXXON MOBIL CHEMICAL PATENTS INC. 2003-11-04 US disclosed
WO-2002094757-A1 PRODUCTION, PURIFICATION AND POLYMERIZATION OF DICARBOXYLIC ACIDS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2002-11-28 WO disclosed
US-20020173674-A1 Production, purification and polymerization of aromatic dicarboxylic acids EXXONMOBIL CHEMICAL PATENTS, INC. 2002-11-21 US disclosed
US-20020173673-A1 Production, purification and polymerization of aromatic dicarboxylic acids EXXONMOBIL CHEMICAL PATENTS, INC. 2002-11-21 US disclosed