SCHEMBL4498928

SCHEMBL4498928

O=C(O)c1ccc(C#CC2CCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.60
FFAR4 Q5NUL3 2/20 0.60
HAO1 Q9UJM8 6/20 0.51
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
SRD5A2 P31213 1/20 0.45
PTPN11 Q06124 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NR3C2 P08235 2/20 0.42
CYP26A1 O43174 1/20 0.42
CYP3A4 P08684 1/20 0.42
RARA P10276 1/20 0.42
CRABP2 P29373 1/20 0.42
KMT2A Q03164 1/20 0.41

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
SCHEMBL13931090 0.98 FFAR1 (0.61) FFAR1FFAR4HAO1RARBRARG
SCHEMBL927052 0.93 FFAR1 (0.58) FFAR1FFAR4HAO1RARBRARG
SCHEMBL3019877 0.85 FFAR1 (0.46) FFAR1FFAR4HAO1RARBRARG
SCHEMBL13245197 0.81 FFAR1 (0.46) FFAR1FFAR4HAO1RARBRARG
SCHEMBL27365315 0.80 FFAR1 (0.51) FFAR1FFAR4HAO1PTPN11KMT2A
SCHEMBL3022123 0.79 FFAR1 (0.45) FFAR1FFAR4HAO1RARBRARG
SCHEMBL24230265 0.79 RARB (0.41) FFAR1FFAR4HAO1RARBRARG
SCHEMBL27363242 0.79 FFAR1 (0.52) FFAR1FFAR4HAO1PTPN11KMT2A
SCHEMBL3586220 0.78 FFAR1 (0.49) FFAR1FFAR4HAO1
SCHEMBL13831551 0.77 FFAR1 (0.43) FFAR1FFAR4HAO1RARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US 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 (2 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 FFAR1 243/4885FFAR4 257/4885HAO1 3101/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 FFAR1 243/4885FFAR4 257/4885HAO1 3101/4885

“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.