SCHEMBL4357384

SCHEMBL4357384

COc1c(O)ccc2cc(C=O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
ALDH1A1 P00352 5/20 0.56
ALDH5A1 P51649 2/20 0.56
ABAT P80404 2/20 0.56
TRIM24 O15164 1/20 0.56
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
AOX1 Q06278 1/20 0.51
ERN1 O75460 4/20 0.48
KDM4E B2RXH2 1/20 0.47
PTGS2 P35354 1/20 0.47
RAB9A P51151 1/20 0.47
CA1 P00915 2/20 0.44
CA2 P00918 1/20 0.44
TSHR P16473 1/20 0.43
MAOA P21397 1/20 0.43
CA12 O43570 1/20 0.41
CA7 P43166 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
SCHEMBL4358501 0.78 ESR1 (0.53) ESR1ESR2ALDH1A1ALDH5A1ABAT
SCHEMBL9623607 0.78 ESR1 (0.75) ESR1ESR2ALDH1A1HPGDTDP1
SCHEMBL10331755 0.78 KDM4E (0.55) ESR1ESR2ALDH1A1ALDH5A1ABAT
SCHEMBL2910430 0.75 ALDH1A1 (0.53) ALDH1A1ALDH5A1ABATTRIM24HPGD
SCHEMBL4362335 0.75 ESR1 (0.53) ESR1ESR2ALDH1A1ALDH5A1ABAT
SCHEMBL18998873 0.75 KDM4E (0.52) ESR1ESR2ALDH1A1ALDH5A1ABAT
SCHEMBL10827942 0.75 ESR1 (0.54) ESR1ESR2ALDH1A1ALDH5A1ABAT
SCHEMBL9007565 0.75 ESR1 (0.53) ESR1ESR2ALDH1A1ALDH5A1ABAT
SCHEMBL1434455 0.74 ESR1 (0.56) ESR1ESR2ERN1KDM4EPTGS2
SCHEMBL9127399 0.74 CYP2A6 (0.48) ALDH1A1ALDH5A1ABATTDP1ERN1

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
US-7540991-B2 Molecular chains of the liquid crystalline polymer (e.g. polybenzoxazole, polybenzothiazole, and polybenzimidazole) having an ionic disosciative group and molecular chain orientated in a specific direction; allows permeation of hydrogen ions generated at a fuel electrode (anode) to cathode POLYMATECH CO., LTD. (JP) 2009-06-02 US disclosed
EP-1615286-B1 Ion conductive polymer electrolyte membrane and production method for the same POLYMATECH CO LTD (JP) 2007-09-12 EP disclosed
EP-1615286-A1 Ion conductive polymer electrolyte membrane and production method for the same Polymatech Co., Ltd. (JP) 2006-01-11 EP disclosed
US-20060004112-A1 Molecular chains of the liquid crystalline polymer (e.g. polybenzoxazole, polybenzothiazole, and polybenzimidazole) having an ionic disosciative group and molecular chain orientated in a specific direction; allows permeation of hydrogen ions generated at a fuel electrode (anode) to cathode POLYMATECH CO., LTD. 2006-01-05 US disclosed
US-4626584-A Crosslinkable thermotropic polyesters derived from allylically substituted hydroxybenzoic acid and a process for preparing a shaped article of the polyesters CELANESE CORPORATION (US) 1986-12-02 US disclosed