SCHEMBL5044912

SCHEMBL5044912

O=C(O)C#Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.86
NR4A2 P43354 2/20 0.67
MAOB P27338 6/20 0.61
PARP10 Q53GL7 1/20 0.61

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
SCHEMBL5038595 0.88 FFAR1 (0.68) FFAR1NR4A2MAOBPARP10
SCHEMBL28284959 0.85 FFAR1 (0.85) FFAR1NR4A2MAOB
SCHEMBL5038715 0.85 FFAR1 (0.64) FFAR1NR4A2MAOBPARP10
SCHEMBL5152185 0.84 FFAR1 (0.83) FFAR1NR4A2MAOBPARP10
SCHEMBL31591490 0.80 NR4A2 (1.00) NR4A2MAOBPARP10
SCHEMBL2195021 0.80 NR4A2 (1.00) NR4A2MAOBPARP10
SCHEMBL3498062 0.79 NR4A2 (0.72) FFAR1NR4A2MAOBPARP10
SCHEMBL9935151 0.79 FFAR1 (1.00) FFAR1
SCHEMBL5947379 0.78 FFAR1 (0.88) FFAR1NR4A2
SCHEMBL4426248 0.78 NR4A2 (0.70) FFAR1NR4A2MAOBPARP10

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
EP-1523469-B1 CINNAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
CN-1305838-C Cinnamide derivatives HOFFMANN LA ROCHE (CH) 2007-03-21 CN disclosed
CN-1665774-A cinnamide derivative HOFFMANN LA ROCHE (CH) 2005-09-07 CN disclosed
US-6900354-B2 3-phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1523469-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-04-20 EP disclosed
US-20040034096-A1 3-Phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMANN-LA ROCHE INC. 2004-02-19 US disclosed
WO-2004007429-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-22 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-20040034096-A1 3-Phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives MAOB, MAOA, APP FFAR1 2999/4885NR4A2 2679/4885MAOB 1/4885

“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.