SCHEMBL4580454

SCHEMBL4580454

COc1ccc(OC)c(/C=C/c2ccc(N)cc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 1.00
NFE2L2 Q16236 3/20 0.72
CYP1A1 P04798 5/20 0.71
CYP1B1 Q16678 5/20 0.71
CYP1A2 P05177 4/20 0.68
TUBB4A P04350 3/20 0.65
TUBB P07437 3/20 0.65
TUBA3C P0DPH7 3/20 0.65
TUBA1B P68363 3/20 0.65
TUBA4A P68366 3/20 0.65
TUBB4B P68371 3/20 0.65
TUBB3 Q13509 3/20 0.65
TUBB2A Q13885 3/20 0.65
TUBB8 Q3ZCM7 3/20 0.65
TUBA3E Q6PEY2 3/20 0.65
TUBA1A Q71U36 3/20 0.65
TUBA1C Q9BQE3 3/20 0.65
TUBB6 Q9BUF5 3/20 0.65
TUBB2B Q9BVA1 3/20 0.65
TUBB1 Q9H4B7 3/20 0.65

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
SCHEMBL4580457 1.00 CYP19A1 (1.00) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL29814899 1.00 CYP19A1 (1.00) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL5501588 0.90 NFE2L2 (0.81) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL5501583 0.90 NFE2L2 (0.81) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL2612725 0.84 CYP19A1 (0.73) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL3059433 0.84 CYP19A1 (0.73) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL20995862 0.84 NFE2L2 (1.00) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL20995857 0.84 NFE2L2 (1.00) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL8864519 0.84 NFE2L2 (0.72) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2
SCHEMBL8864522 0.84 NFE2L2 (0.72) CYP19A1NFE2L2CYP1A1CYP1B1CYP1A2

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-10557045-B2 Pigment dispersant with hindered light amine stabilizer and pigment dispersions and coating compositions based thereon PPG INDUSTRIES OHIO, INC. (US) 2020-02-11 US disclosed
US-20190048212-A1 PIGMENT DISPERSANT WITH HINDERED LIGHT AMINE STABILIZER AND PIGMENT DISPERSIONS AND COATING COMPOSITIONS BASED THEREON PPG INDUSTRIES OHIO, INC. 2019-02-14 US disclosed
US-20080300161-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylis acids SCHULTZ ALFRED K 2008-12-04 US disclosed
US-7423167-B2 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylic acids STEPAN COMPANY (US) 2008-09-09 US disclosed
US-7026418-B2 Emulsion polymerization process utilizing ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylic acids STEPAN COMPANY (US) 2006-04-11 US disclosed
US-20050131080-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylic acids STEPAN COMPANY, A CORPORATION OF THE STATE OF DELAWARE 2005-06-16 US disclosed
US-20050010009-A1 Emulsion polymerization process utilizing ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylic acids STEPAN COMPANY, A CORPORATION OF THE STATE OF DELAWARE 2005-01-13 US disclosed
EP-1451585-A2 A NOVEL REAGENTLESS SENSING SYSTEM FOR MEASURING CARBOHYDRATES BASED ON THE GALACTOSE/GLUCOSE BINDING PROTEIN The University of Kentucky Research Foundation (US) 2004-09-01 EP disclosed
EP-1102794-B1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN CO (US) 2004-02-25 EP disclosed
EP-0960134-B1 EMULSION POLYMERISATION PROCESS UTILISING ETHYLENICALLY UNSATURATED AMINE SALTS OF SULPHONIC, PHOSPHORIC AND CARBOXYLIC ACIDS STEPAN CO (US) 2004-01-28 EP disclosed
US-20010018461-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric, and carboxylic acids STEPAN COMPANY 2001-08-30 US disclosed
EP-1105429-A1 ANTIMICROBIAL POLYMER LATEXES DERIVED FROM UNSATURATED QUATERNARY AMMONIUM COMPOUNDS AND ANTIMICROBIAL COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS PRODUCED FROM SUCH LATEXES STEPAN COMPANY (US) 2001-06-13 EP disclosed
US-6242526-B1 MONOMER UNIT IS DERIVED FROM AN ETHYLENICALLY UNSATURATED MONOMER AND THE SURFACE ACTIVE AGENT UNIT IS DERIVED FROM A POLYMERIZABLE ANTIBACTERIAL QUATERNARY AMMONIUM COMPOUND. STEPAN COMPANY 2001-06-05 US disclosed
EP-1102794-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2001-05-30 EP disclosed
US-6239240-B1 Emulsion polymerization process utilizing ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylic acids STEPAN COMPANY 2001-05-29 US disclosed
WO-2000006612-A1 ANTIMICROBIAL POLYMER LATEXES DERIVED FROM UNSATURATED QUATERNARY AMMONIUM COMPOUNDS AND ANTIMICROBIAL COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS PRODUCED FROM SUCH LATEXES STEPAN COMPANY (US) 2000-02-10 WO disclosed
WO-2000006611-A1 IMPROVED COATINGS, SEALANTS, ADHESIVES AND ELASTOMERS UTILIZING POLYMER LATEXES DERIVED FROM UNSATURATED AMINE SALTS STEPAN COMPANY (US) 2000-02-10 WO disclosed
EP-0958273-A1 NOVEL ETHYLENICALLY UNSATURATED AMINE SALTS OF SULFONIC, PHOSPHORIC AND CARBOXYLIC ACIDS STEPAN COMPANY (US) 1999-11-24 EP disclosed
WO-1998032726-A1 NOVEL ETHYLENICALLY UNSATURATED AMINE SALTS OF SULFONIC, PHOSPHORIC AND CARBOXYLIC ACIDS STEPAN COMPANY (US) 1998-07-30 WO disclosed
US-5414069-A Main chain and side chains each with electroluminescent group and flexible spacer connecting group to main chain, polymer having at least two different electroluminescent groups, the groups not being conjugated with one another; preparations POLAROID CORPORATION (US) 1995-05-09 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 (1 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-20080300161-A1 Ethylenically unsaturated amine salts of sulfonic, phosphoric and carboxylis acids PHOSPHO1, PTDSS1, SELENOI CYP19A1 3028/4885NFE2L2 2707/4885CYP1A1 3592/4885

“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.