SCHEMBL3840593

SCHEMBL3840593

C#Cc1ccc(Cc2ccc(C#C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.43
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CALM1 P0DP23 1/20 0.38
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
MAPK1 P28482 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
KEAP1 Q14145 1/20 0.34
PTPN1 P18031 1/20 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
SCHEMBL1921158 0.90 CALM1 (0.57) CA12CA1CA2CA9CA14
SCHEMBL5488179 0.88 CYP3A4 (0.64) HDAC8CYP3A4TSHRALDH1A1TDP1
SCHEMBL7031637 0.88 ESR1 (0.64) ALDH1A1TDP1ESR1ESR2CA12
SCHEMBL3842459 0.82 FFAR1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL5179689 0.82 HDAC8 (0.43) HDAC8ESR1ESR2CA12CA1
SCHEMBL28871 0.80 HDAC8 (0.59) HDAC8CA12CA1CA2CA4
SCHEMBL935811 0.78 CYP2A6 (0.58) HDAC8TSHRALDH1A1TDP1CA12
SCHEMBL720296 0.78 HDAC8 (0.40) HDAC8CA12CA1CA2CA4
SCHEMBL19437245 0.78 HDAC8 (0.40) HDAC8CA12CA1CA2CA4
SCHEMBL19805772 0.78 HDAC8 (0.40) HDAC8CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884862-B2 Polymer, process for production, composition for film formation containing the same, method of film formation, and insulating film JSR CORPORATION (JP) 2005-04-26 US claimed
WO-1991009066-A1 HIGH CARBON RESINS AND FOAMS HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1991-06-27 WO claimed
US-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 US claimed
US-4374291-A Synthesis of bis(ethynylphenyl) compounds HUGHES AIRCRAFT COMPANY (US) 1983-02-15 US claimed
US-7556860-B2 Laminate and method of forming the same, insulating film, and semiconductor device JSR CORPORATION (JP) 2009-07-07 US disclosed
EP-1245638-B1 Composition for insulating film formation JSR CORP (JP) 2009-01-14 EP disclosed
EP-1188807-B1 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR CORP (JP) 2007-10-17 EP disclosed
EP-1099719-B1 Diyne-containing (co) polymer, processes for producing the same, and cured film JSR CORP (JP) 2007-01-17 EP disclosed
EP-1298176-B1 Stacked film insulating film and substrate for semiconductor JSR CORP (JP) 2007-01-03 EP disclosed
US-7153767-B2 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR CORPORATION (JP) 2006-12-26 US disclosed
US-20060216531-A1 Laminate and method of forming the same, insulating film, and semiconductor device JSR CORPORATION (JP) 2006-09-28 US disclosed
US-20060210812-A1 Insulating film and method of forming the same JSR CORPORATION (JP) 2006-09-21 US disclosed
EP-1188807-A2 Chemical mechanical polishing stopper film, process for producing the same, and method of chemical mechanical polishing JSR Corporation (JP) 2002-03-20 EP disclosed
EP-1099719-A1 Diyne-containing (co) polymer, processes for producing the same, and cured film JSR Corporation (JP) 2001-05-16 EP disclosed
WO-1991009066-A1 HIGH CARBON RESINS AND FOAMS HYPERION CATALYSIS INTERNATIONAL, INC. (US) 1991-06-27 WO disclosed
US-4814472-A Diethynylated diphenyl hexafluoropropanes HUGHES AIRCRAFT COMPANY (US) 1989-03-21 US disclosed
US-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 US disclosed
US-4665246-A Method of producing ethynyl aromatic compounds CHEM BIOCHEM RESEARCH, INC. (US) 1987-05-12 US disclosed
US-4374291-A Synthesis of bis(ethynylphenyl) compounds HUGHES AIRCRAFT COMPANY (US) 1983-02-15 US disclosed
US-4284834-A Diethynyl aromatic hydrocarbons which homopolymerize and char efficiently after cure HUGHES AIRCRAFT COMPANY (US) 1981-08-18 US disclosed