SCHEMBL1031277

SCHEMBL1031277

[C]#Cc1cccc2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 6/20 0.39
HIF1A Q16665 4/20 0.39
CYP1B1 Q16678 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 4/20 0.36
ACHE P22303 2/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
AHR P35869 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
HTR2A P28223 1/20 0.34
NQO1 P15559 1/20 0.34
HPGD P15428 5/20 0.34

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
SCHEMBL4190016 0.84 CYP1A2 (0.44) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL818027 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL1027269 0.79 CA1 (0.47) ALDH1A1HSD17B10HIF1ACYP1B1MEN1
SCHEMBL30918302 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL937286 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL32172 0.78 CA1 (0.52) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL31050902 0.78 CA1 (0.52) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL194326 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL31050903 0.78 CA1 (0.52) ALDH1A1KDM4EGAAHSD17B10HIF1A
SCHEMBL1033618 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EGAAHSD17B10HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1538148-B1 CHIRAL SENSOR JAPAN SCIENCE & TECH AGENCY (JP) 2007-01-10 EP claimed
US-6395907-B1 Preparation of polyaromatic-ethynyl thermal setting agents VIRGINIA COMMONWEALTH UNIVERSITY 2002-05-28 US claimed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US claimed
EP-4379833-A1 NEGATIVE ELECTRODE, LITHIUM ION SECONDARY BATTERY, AND MANUFACTURING METHOD FOR LITHIUM ION SECONDARY BATTERY SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
EP-4379888-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-06-05 EP disclosed
WO-2023008030-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY PROVIDED WITH SAME 信越化学工業株式会社 2023-02-02 WO disclosed
EP-1867623-B1 TERPHENYLENE DERIVATIVES, TETRAHALOTERPHENYL DERIVATIVES AND PROCESSES FOR THE PRODUCTION OF BOTH TOSOH CORP (JP) 2017-05-10 EP disclosed
US-8722842-B2 Optical film and image display device NITTO DENKO CORPORATION (JP) 2014-05-13 US disclosed
US-8337982-B2 Comprising first repeating unit obtained by reaction of bisaminophenol compound and dicarboxylic acid, at least one of which has diamondoid structure and second repeating unit obtained by reaction of bisaminophenol compound having no diamondoid structure and dicarboxylic acid; heat resistance SUMITOMO BAKELITE CO., LTD. (JP) 2012-12-25 US disclosed
EP-2277979-B1 Polymeric fluorescent substance and polymer light emitting device SUMITOMO CHEMICAL CO (JP) 2012-07-11 EP disclosed
EP-2280584-B1 Polymeric fluorescent substance and polymer light emitting device SUMITOMO CHEMICAL CO (JP) 2012-07-11 EP disclosed
EP-1074600-A2 Polymeric fluorescent substance and polymer light emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-07 EP disclosed
EP-1043382-A2 Polymeric fluorescent substance and polymer light emitting device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-10-11 EP disclosed
EP-0964045-A1 Polymeric fluorescent substance and organic electroluminescence device SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
EP-0639195-B1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 1999-05-26 EP disclosed
EP-0809644-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1997-12-03 EP disclosed
WO-1997022609-A1 4-SUBSTITUTED CEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1997-06-26 WO disclosed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US disclosed
EP-0639195-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP disclosed
WO-1994020504-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO disclosed