SCHEMBL1830968

SCHEMBL1830968

NC1(O)CCCCCCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL9801578 1.00
SCHEMBL29002292 1.00 TSHR (0.41) TSHRCYP2C19ALDH1A1
SCHEMBL29002295 1.00 TSHR (0.41) TSHRCYP2C19ALDH1A1
SCHEMBL29245414 1.00 TSHR (0.41) TSHRCYP2C19ALDH1A1
SCHEMBL208999 1.00
SCHEMBL1833697 1.00 TSHR (0.41) TSHRCYP2C19ALDH1A1
SCHEMBL29245417 1.00 TSHR (0.41) TSHRCYP2C19ALDH1A1
Hydrochloric Acid SCHEMBL2483713 0.96
SCHEMBL352244 0.96
Hydrochloric Acid SCHEMBL1459865 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833870-B1 DURABLE COATING COMPOSITIONS CONTAINING NOVEL ASPARTIC AMINE COMPOUNDS DU PONT (US) 2011-05-11 EP disclosed
US-7682665-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
US-7674499-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-09 US disclosed
EP-1833870-A1 DURABLE COATING COMPOSITIONS CONTAINING NOVEL ASPARTIC AMINE COMPOUNDS E.I.Du pont de nemours and company (US) 2007-09-19 EP disclosed
US-7214828-B2 Durable coating compositions containing novel aspartic amine compounds E. I. DUPONT DE NEMOURS AND COMPANY (US) 2007-05-08 US disclosed
US-20060155053-A1 Durable coating compositions containing novel aspartic amine compounds AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-07-13 US disclosed
US-20060155054-A1 Durable coating compositions containing novel aspartic amine compounds AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-07-13 US disclosed
US-20060155148-A1 Durable coating compositions containing novel aspartic amine compounds AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-07-13 US disclosed
WO-2006066026-A1 DURABLE COATING COMPOSITIONS CONTAINING NOVEL ASPARTIC AMINE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-06-22 WO 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-20060155148-A1 Durable coating compositions containing novel aspartic amine compounds H1-0, H1-2, H1-5 TSHR 4581/4885CYP2C19 4389/4885ALDH1A1 2622/4885

“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.