SCHEMBL3294574

SCHEMBL3294574

CCC(C)NC(=O)/C=C/C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
GAA P10253 2/20 0.63
TAAR1 Q96RJ0 1/20 0.57
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
HCAR2 Q8TDS4 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 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
SCHEMBL3294577 1.00 ALDH1A1 (0.63) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL13296121 1.00 ALDH1A1 (0.63) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL10400866 0.83 ALDH1A1 (0.63) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL16328856 0.83 ALDH1A1 (0.63) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL21559558 0.82 TAS1R3 (0.45) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL20450459 0.81 TAS1R3 (0.47) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL3295305 0.80 HCAR2 (0.50) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL4907353 0.80 TAS1R3 (0.62) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL4907351 0.80 TAS1R3 (0.62) ALDH1A1GAATAAR1TAS1R3TAS1R1
SCHEMBL11137113 0.80 ALDH1A1 (0.59) ALDH1A1GAATAAR1LMNACYP2D6

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
US-7732018-B2 Durable coating compositions containing novel aspartic amine compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-08 US disclosed
EP-1833783-B1 DURABLE COATING COMPOSITIONS CONTAINING NOVEL ASPARTIC AMINE COMPOUNDS DU PONT (US) 2009-04-15 EP disclosed
US-7449242-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS & COMPANY (US) 2008-11-11 US disclosed
EP-1833783-A1 DURABLE COATING COMPOSITIONS CONTAINING NOVEL ASPARTIC AMINE COMPOUNDS E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-09-19 EP disclosed
US-7166748-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DUPONT DE NEMOURS & CO. (US) 2007-01-23 US disclosed
US-20060228563-A1 Durable coating compositions containing novel aspartic amine compounds AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-10-12 US disclosed
US-20060155056-A1 Durable coating compositions containing novel aspartic amine compunds AXALTA COATING SYSTEMS IP CO. LLC (FORMERLY KNOWN AS U.S. COATINGS IP CO. LLC) 2006-07-13 US disclosed
US-20060155149-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-2006066031-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-20060155149-A1 Durable coating compositions containing novel aspartic amine compounds H1-10, H1-0, H1-5 ALDH1A1 2360/4885GAA 3080/4885TAAR1 7/4885

“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.