SCHEMBL656271

SCHEMBL656271

CCCC(CC(C)(c1ccc(O)cc1)c1ccc(O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.49
ESR2 Q92731 9/20 0.49
CYP3A4 P08684 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SLC6A3 Q01959 2/20 0.46
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KIF11 P52732 1/20 0.39
GRIK1 P39086 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38

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
SCHEMBL3470639 0.90 ESR1 (0.45) ESR1ESR2CYP3A4ALDH1A1GRIK1
SCHEMBL1176816 0.90 ESR1 (0.45) ESR1ESR2CYP3A4ALDH1A1GRIK1
SCHEMBL3131833 0.87 ESR1 (0.51) ESR1ESR2CYP3A4ALDH1A1SLC6A3
SCHEMBL3471119 0.81 MAPK1 (0.43) ESR1ESR2CYP3A4ALDH1A1HDAC1
SCHEMBL4071655 0.79 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1SLC6A3
SCHEMBL3803356 0.79 ESR1 (0.46) ESR1ESR2CYP3A4ALDH1A1SLC6A3
SCHEMBL3693607 0.77 ESR1 (0.54) ESR1ESR2CYP3A4ALDH1A1SLC6A3
SCHEMBL3120808 0.74 ESR1 (0.51) ESR1ESR2CYP3A4ALDH1A1SLC6A3
Bisphenol A SCHEMBL29384032 0.74 CA2 (0.61) ESR1ESR2CYP3A4ALDH1A1SLC6A3
SCHEMBL3471114 0.74 ESR1 (0.41) ESR1ESR2CYP3A4ALDH1A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846569-B1 Thermally-Responsive Record Material APPLETON PAPER INC (US) 2002-02-06 EP claimed
US-5668080-A SHEET COATED WITH COLOR-FORMING SYSTEM COMPRISING CHROMOGENIC MATERIAL, ACIDIC DEVELOPER, ALPHA-/TRICHLOROMETHYL/-BENZYL ACETATE; IMPROVED IMAGE STABILITY APPLETON PAPERS INC. (US) 1997-09-16 US claimed
EP-0414509-B1 Heat sensitive record material APPLETON PAPER INC (US) 1994-09-21 EP claimed
EP-0319283-B1 THERMALLY RESPONSIVE RECORD MATERIAL APPLETON PAPERS INC. (US) 1993-06-09 EP claimed
EP-0414509-A2 Heat sensitive record material APPLETON PAPERS INC. (US) 1991-02-27 EP claimed
US-4895827-A Containing cinnamic metal salt APPLETON PAPERS INC. (US) 1990-01-23 US claimed
US-4870047-A RESISTANCE TO FADING OR ERASURE APPLETON PAPERS INC. (US) 1989-09-26 US claimed
US-4820683-A COLORFASTNESS APPLETON PAPERS INC. (US) 1989-04-11 US claimed
US-4470057-A CHROMOGENIC COMPOUND, ACIDIC DEVELOPERS, AND PHENYLHYDROXYNAPHTHOATE APPLETON PAPERS INC. (US) 1984-09-04 US claimed
US-9982157-B2 Aqueous laser-sensitive composition for marking substrates DATALASE LTD. (GB) 2018-05-29 US disclosed
US-20160096105-A1 Direct Thermal Variable Printing Substrate APPVION, INC. (US) 2016-04-07 US disclosed
US-20150361289-A1 AQUEOUS LASER-SENSITIVE COMPOSITION FOR MARKING SUBSTRATES DATALASE LTD. (GB) 2015-12-17 US disclosed
US-20140342293-A1 HEAT SENSITIVE COATING COMPOSITION BASF SE (DE) 2014-11-20 US disclosed
US-20120045624-A1 AQUEOUS LASER-SENSITIVE COMPOSITION FOR MARKING SUBSTRATES BASF SE (DE) 2012-02-23 US disclosed
EP-0414509-A2 Heat sensitive record material APPLETON PAPERS INC. (US) 1991-02-27 EP disclosed
US-4895827-A Containing cinnamic metal salt APPLETON PAPERS INC. (US) 1990-01-23 US disclosed
US-4870047-A RESISTANCE TO FADING OR ERASURE APPLETON PAPERS INC. (US) 1989-09-26 US disclosed
US-4820683-A COLORFASTNESS APPLETON PAPERS INC. (US) 1989-04-11 US disclosed
US-4794102-A RESISTANCE TO IMAGE ERASURE APPLETON PAPERS INC. (US) 1988-12-27 US disclosed
US-4470057-A CHROMOGENIC COMPOUND, ACIDIC DEVELOPERS, AND PHENYLHYDROXYNAPHTHOATE APPLETON PAPERS INC. (US) 1984-09-04 US disclosed