SCHEMBL4954684

SCHEMBL4954684

COC(=O)C(C)(C)CCC(=O)N(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
DGAT1 O75907 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL978120 0.85 CYP4F2 (0.33) CYP4F2CYP4A11DGAT1MEN1KMT2A
SCHEMBL22498769 0.82 ALDH1A1 (0.38) ALDH1A1CYP4F2CYP4A11CHRNB2CHRNB4
SCHEMBL2022397 0.78 DGAT1 (0.44) ALDH1A1CYP4F2CYP4A11DGAT1TSHR
SCHEMBL10046557 0.77 ALDH1A1 (0.43) ALDH1A1CHRNB2CHRNB4CHRNA4TSHR
SCHEMBL5911694 0.77 ALDH1A1 (0.39) ALDH1A1CYP4F2CYP4A11DGAT1TSHR
SCHEMBL759137 0.77 TSHR (0.52) ALDH1A1CYP4F2CYP4A11DGAT1MEN1
SCHEMBL3283628 0.77 DGAT1 (0.37) CYP4F2CYP4A11DGAT1TSHR
SCHEMBL161711 0.77 NAALAD2 (0.45) ALDH1A1CYP4F2CYP4A11DGAT1MEN1
SCHEMBL8236215 0.75 CYP4F2 (0.33) CYP4F2CYP4A11
SCHEMBL22842728 0.75 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060281949-A1 Method for production $g(a),$g(b)-unsaturated amide compounds GSTA2, GSTO1, GLB1 ALDH1A1 218/4885CYP4F2 785/4885CYP4A11 627/4885

“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.