SCHEMBL4615754

SCHEMBL4615754

O=C1OCC(CCCCCO)O1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HLCS P50747 1/20 0.37
CYP1A2 P05177 2/20 0.35
PPARG P37231 2/20 0.35
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PRKCA P17252 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL4615950 0.98 HLCS (0.35) HLCSCYP1A2PPARGHTT
SCHEMBL4616362 0.92 HTT (0.33) CYP1A2PPARGHTT
SCHEMBL17227787 0.90 CYP1A2 (0.40) CYP1A2PPARGHTTALDH1A1GRM2
SCHEMBL9999670 0.88 CYP1A2 (0.37) CYP1A2PPARGHTTALDH1A1GRM2
SCHEMBL491015 0.84
SCHEMBL9576975 0.81 CYP1A2 (0.54) CYP1A2PPARGALDH1A1GRM2
SCHEMBL16339694 0.81 CYP1A2 (0.35) CYP1A2PPARGALDH1A1GRM2
SCHEMBL17265372 0.81 CYP1A2 (0.54) CYP1A2PPARGALDH1A1GRM2
SCHEMBL5598322 0.81 CYP1A2 (0.54) CYP1A2PPARGALDH1A1GRM2
SCHEMBL19283429 0.81 CYP1A2 (0.54) CYP1A2PPARGALDH1A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108715723-B Electrocoating compositions containing anticrater agent 涂层国外知识产权有限公司 2021-11-02 CN disclosed
US-10577510-B2 Electrocoating composition including an anti-crater agent Axalta Coating Systems IP Co. LLC (US) 2020-03-03 US disclosed
US-20180282557-A1 ELECTROCOATING COMPOSITON INCLUDING AN ANTI-CRATER AGENT AXALTA COATING SYSTEMS IP CO., LLC (US) 2018-10-04 US disclosed
EP-1831317-B1 CATHODIC ELECTROCOATING COMPOSITIONS CONTAINING AN ANTI-CRATER AGENT DU PONT (US) 2008-03-05 EP disclosed
EP-1819782-B1 CATHODIC ELECTROCOATING COMPOSITIONS CONTAINING AN ANTI-CRATER AGENT DU PONT (US) 2008-03-05 EP disclosed
US-7264706-B2 Cathodic electrocoating compositions containing an anti-crater agent E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-04 US disclosed
US-7264705-B2 Cathodic electrocoating compositions containing an anti-crater agent E. I. DUPONT DE NEMOURS AND COMPANY (US) 2007-09-04 US disclosed
US-20060084725-A1 Cathodic electrocoating compositions containing an anti-crater agent AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-04-20 US disclosed
US-20060084726-A1 Cathodic electrocoating compositions containing an anti-crater agent AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-04-20 US disclosed
EP-1425354-B1 CATHODIC ELECTROCOATING COMPOSITIONS CONTAINING HYDROXYL-CARBONATE BLOCKED POLYISOCYANATE CROSSLINKING AGENT DU PONT (US) 2005-03-16 EP disclosed
US-6825361-B2 EPOXY-AMINE ADDUCTS; ELECTRODEPOSITED FINISHES WITH REDUCED WEIGHT LOSS WHEN HEATED TO CURE E. I. DU PONT DE NEMOURS AND COMPANY 2004-11-30 US disclosed
US-20040084313-A1 Cathodic electrocoating compositions containing hydroxyl-carbonate blocked polyisocyanate crosslinking agent PALADIN PHARMA INC. (CA) 2004-05-06 US disclosed
US-6607646-B2 Cathodic electrocoating compositions containing hydroxyl-carbonate blocked polyisocyanate crosslinking agent E. I. DU PONT DE NEMOURS AND COMPANY 2003-08-19 US disclosed
US-20030064227-A1 Cathodic electrocoating compositions containing hydroxyl-carbonate blocked polyisocyanate crosslinking agent E. I. DU PONT DE NEMOURS AND COMPANY 2003-04-03 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-20030064227-A1 Cathodic electrocoating compositions containing hydroxyl-carbonate blocked polyisocyanate crosslinking agent TET2, TET1, HAAO HLCS 533/4885CYP1A2 1238/4885PPARG 3377/4885

“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.