SCHEMBL1834006

SCHEMBL1834006

CCCN(CCC)C(=O)/C=C\C(=O)N(CCC)CCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA9 Q16790 4/20 0.50
CA2 P00918 3/20 0.50
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
APP P05067 3/20 0.46
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 3/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
TP53 P04637 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
NPC1 O15118 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL1832210 0.91 ZDHHC20 (0.53) CA12CA9CA2TSHRMAPK1
SCHEMBL1832212 0.91 ZDHHC20 (0.53) CA12CA9CA2TSHRMAPK1
SCHEMBL11460809 0.87 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL6636617 0.87 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL19472462 0.85 ZDHHC20 (0.45) CA12CA9CA2TSHRMAPK1
SCHEMBL1395669 0.84 CA12 (0.54) CA12CA9CA2APPALDH1A1
SCHEMBL11681109 0.84 CA12 (0.54) CA12CA9CA2APPALDH1A1
SCHEMBL1395625 0.84 CA12 (0.54) CA12CA9CA2APPALDH1A1
SCHEMBL19917777 0.82 ZDHHC20 (0.50) CA12CA9CA2TSHRMAPK1
SCHEMBL19854404 0.82 ZDHHC20 (0.50) CA12CA9CA2TSHRMAPK1

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-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
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
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 CA12 388/4885CA9 1176/4885CA2 1378/4885

“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.