SCHEMBL79771

SCHEMBL79771

Cc1cccc(C=CCCl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
ALOX5 P09917 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RELA Q04206 1/20 0.49
FBP1 P09467 1/20 0.49
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ACHE P22303 1/20 0.42
IDO1 P14902 2/20 0.41
NFE2L2 Q16236 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL79770 1.00 PTGS1 (0.50) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL17485263 0.85 NFE2L2 (0.41) FBP1NPC1MAOAMAOBIDO1
SCHEMBL8442069 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL19227545 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL8442071 0.82 TP53 (0.52) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL1795132 0.80 PTGS1 (0.69) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL1795130 0.80 PTGS1 (0.69) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL21847980 0.80 PTGS1 (0.69) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL81659 0.80 PTGS1 (0.55) PTGS1PTGS2ALOX5TP53TDP1
SCHEMBL2771432 0.80 PTGS1 (0.50) PTGS1PTGS2ALOX5TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10583112-B2 Benzo[b]furans as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2020-03-10 US disclosed
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-05-23 US disclosed
EP-2168944-B1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-11 EP disclosed
CN-102838625-A Tetrahydropyridothiazole compounds, preparation method thereof, pharmaceutical composition containing same and application thereof SHANGHAI INST MATERIA MEDICA 2012-12-26 CN disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 US disclosed
EP-1967509-B1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL CO (JP) 2010-04-14 EP disclosed
EP-2168944-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-7652170-B2 Method for producing primary amine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20090287023-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-1967509-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-09-10 EP disclosed
EP-0657163-B1 ANTITUSSIVE TORAY INDUSTRIES (JP) 1998-10-14 EP disclosed
US-5739145-A MORPHINAN DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1998-04-14 US disclosed
EP-0657163-A1 ANTITUSSIVE TORAY INDUSTRIES, INC. (JP) 1995-06-14 EP disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0415729-A2 Vinylphenyl compound, process for the production thereof, polymerizable composition containing same, and crosslinked polymer formed therefrom TOKUYAMA SODA KABUSHIKI KAISHA (JP) 1991-03-06 EP disclosed
EP-0347766-A2 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments Dr. Karl Thomae GmbH (DE) 1989-12-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10583112-B2 Benzo[b]furans as bromodomain inhibitors BRD4, BRD3, BRD2 PTGS1 476/4885PTGS2 733/4885ALOX5 2105/4885
US-20190151279-A1 BENZO[B]FURANS AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 PTGS1 476/4885PTGS2 733/4885ALOX5 2105/4885
US-20090287023-A1 METHOD FOR PRODUCING PRIMARY AMINE COMPOUND HRH3, HRH4, C5 PTGS1 1989/4885PTGS2 2781/4885ALOX5 203/4885
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C PTGS1 3602/4885PTGS2 4185/4885ALOX5 632/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.