SCHEMBL7769045

SCHEMBL7769045

CCOC/C=C/COCC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
PTGS1 P23219 1/20 0.32

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
SCHEMBL7769047 1.00 ALDH1A1 (0.35) ALDH1A1PTGS1
SCHEMBL15448059 1.00 ALDH1A1 (0.35) ALDH1A1PTGS1
SCHEMBL7772981 0.90
SCHEMBL5599751 0.90
SCHEMBL12811117 0.90
SCHEMBL11797693 0.87
SCHEMBL11797697 0.87
SCHEMBL11579062 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11579059 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5953057 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5312969-A Linear dicarbonylation of difunctionalized butenes RHONE-POULENC CHIMIE (FR) 1994-05-17 US claimed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-8101643-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
EP-0801128-A1 Fuel additive NIPPON OIL CO. LTD. (JP) 1997-10-15 EP disclosed
EP-0612720-B1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL CO (JP) 1997-01-08 EP disclosed
EP-0723985-A1 Fuel additive NIPPON OIL CO. LTD. (JP) 1996-07-31 EP disclosed
EP-0612720-A1 Process for producing 1,4-dicyano-2-butene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-08-31 EP disclosed
US-5312969-A Linear dicarbonylation of difunctionalized butenes RHONE-POULENC CHIMIE (FR) 1994-05-17 US disclosed
US-5198573-A Reaction of carbon monoxide with dialkoxy-3-butene in the presence of palladium catalysts RHONE-POULENC CHIMIE (FR) 1993-03-30 US disclosed
US-4857657-A Preparation of hexenedioic acid diesters RHONE-POULENC CHIMIE (FR) 1989-08-15 US disclosed
US-4633015-A CATALYTIC CARBONYLATION IN APROTIC SOLVENT, HYDROGENATION AND HYDROLYSIS MONSANTO COMPANY (US) 1986-12-30 US disclosed
US-4611082-A Production of hex-3-enedioate esters from 1,4 dialkoxy butenes MONSANTO COMPANY (US) 1986-09-09 US disclosed
US-4168379-A Pyridin-3-ols BASF AKTIENGESELLSCHAFT (DE) 1979-09-18 US 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885PTGS1 1285/4885
US-20120076756-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885PTGS1 1285/4885
US-20140193363-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885PTGS1 1285/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885PTGS1 1285/4885

“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.