SCHEMBL4954673

SCHEMBL4954673

O=C1/C=C/CCCCCCCCCN1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
FKBP5 Q13451 1/20 0.36
CRBN Q96SW2 1/20 0.36
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
OR51E2 Q9H255 1/20 0.32
CA1 P00915 1/20 0.30
CA9 Q16790 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
SCHEMBL30545269 1.00 ALDH1A1 (0.39) ALDH1A1FKBP5CRBNKDM4EGAA
SCHEMBL29636334 1.00 ALDH1A1 (0.39) ALDH1A1FKBP5CRBNKDM4EGAA
SCHEMBL4954670 1.00 ALDH1A1 (0.39) ALDH1A1FKBP5CRBNKDM4EGAA
SCHEMBL4954677 1.00 ALDH1A1 (0.39) ALDH1A1FKBP5CRBNKDM4EGAA
SCHEMBL541181 0.98
SCHEMBL541182 0.98
SCHEMBL651905 0.91
5,6-Dihydro-2(1H)-Pyridinone SCHEMBL49488 0.80
5,6-Dihydro-2(1H)-Pyridinone SCHEMBL9464948 0.78
5,6-Dihydro-2(1H)-Pyridinone SCHEMBL31482438 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738161-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-04-11 EP claimed
EP-2738161-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-04-11 EP disclosed
EP-2738162-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-01-03 EP disclosed
EP-2548862-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2016-06-08 EP disclosed
US-9242931-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2016-01-26 US disclosed
US-8962826-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2015-02-24 US disclosed
US-8816069-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2014-08-26 US disclosed
EP-2738162-A2 Method for producing amide compound Ube Industries, Ltd. (JP) 2014-06-04 EP disclosed
EP-2738161-A1 Method for producing amide compound Ube Industries, Ltd. (JP) 2014-06-04 EP disclosed
US-20140114062-A1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-20140114061-A1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
EP-2548862-A1 METHOD FOR PRODUCING AMIDE COMPOUND Ube Industries, Ltd. (JP) 2013-01-23 EP disclosed
US-20130005960-A1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES, LTD. (JP) 2013-01-03 US disclosed
EP-1648858-B1 METHOD FOR PRODUCTION OF ALPHA, BETA-UNSATURATED AMIDE COMPOUNDS SIEGFRIED GENERICS INT AG (CH) 2008-07-02 EP disclosed
US-20060281949-A1 Method for production $g(a),$g(b)-unsaturated amide compounds SIEGFRIED GENERICS INTERNATIONAL AG (CH) 2006-12-14 US disclosed
EP-1648858-A1 METHOD FOR PRODUCTION OF ALPHA, BETA-UNSATURATED AMIDE COMPOUNDS Siegfried Generics International AG (CH) 2006-04-26 EP disclosed
WO-2005007618-A1 METHOD FOR PRODUCTION OF $G(A),$G(B)-UNSATURATED AMIDE COMPOUNDS SIEGFRIED GENERICS INTERNATIONAL AG (CH) 2005-01-27 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 (4 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-20130005960-A1 METHOD FOR PRODUCING AMIDE COMPOUND ADH1C, ADH5, ALKBH3 ALDH1A1 57/4885FKBP5 983/4885CRBN 1885/4885
US-20140114062-A1 METHOD FOR PRODUCING AMIDE COMPOUND ADH1C, ADH1A, O60361 ALDH1A1 411/4885FKBP5 1765/4885CRBN 2038/4885
US-20140114061-A1 METHOD FOR PRODUCING AMIDE COMPOUND ADH1C, ADH1A, O60361 ALDH1A1 411/4885FKBP5 1765/4885CRBN 2038/4885
US-20060281949-A1 Method for production $g(a),$g(b)-unsaturated amide compounds GSTA2, GSTO1, GLB1 ALDH1A1 218/4885FKBP5 1590/4885CRBN 4314/4885

“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.