SCHEMBL20564211

SCHEMBL20564211

CC/C(C(=O)O)=C(\C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.50
CES2 O00748 7/20 0.50
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL20564213 1.00 CES1 (0.50) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL8408970 1.00 CES1 (0.50) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL27713863 0.88 CES1 (0.47) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL2638462 0.86 CES1 (0.46) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL5698372 0.81 CES1 (0.52) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL9818176 0.81 CES1 (0.52) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL27908851 0.81 CES1 (0.52) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL5698374 0.81 CES1 (0.52) CES1CES2MAPTSMN1; SMN2L3MBTL1
Benzoic Acid SCHEMBL11306418 0.81 TSHR (0.61) CES1CES2MAPTSMN1; SMN2L3MBTL1
SCHEMBL10615120 0.81 CES1 (0.52) CES1CES2MAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625283-B1 POLYESTER COPOLYMER AVANTIUM KNOWLEDGE CENTRE BV (NL) 2025-05-07 EP disclosed
US-11548980-B2 Polyester copolymer AVANTIUM KNOWLEDGE CENTRE B.V. (NL) 2023-01-10 US disclosed
US-20210139645-A1 Polyester Copolymer AVANTIUM KNOWLEDGE CENTRE B.V. (NL) 2021-05-13 US disclosed
EP-3625283-A1 POLYESTER COPOLYMER Avantium Knowledge Centre B.V. (NL) 2020-03-25 EP disclosed
WO-2018211132-A1 POLYESTER COPOLYMER AVANTIUM KNOWLEDGE CENTRE B.V. (NL) 2018-11-22 WO disclosed