SCHEMBL4460271

SCHEMBL4460271

N#Cc1cc(F)cc(C#Cc2cccc(CO)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.46
HAO1 Q9UJM8 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL4467510 0.85 FFAR1 (0.50) FFAR1
SCHEMBL27722556 0.85 LOXL2 (0.44) FFAR1GRM5
SCHEMBL4454587 0.84 HAO1 (0.48) HAO1GRM5
SCHEMBL4456181 0.82 CA12 (0.49) GRM5
SCHEMBL29478750 0.80 GLA (0.50) FFAR1
SCHEMBL92972 0.80 GLA (0.50) FFAR1
SCHEMBL4458314 0.80 HAO1 (0.44) HAO1GRM5
SCHEMBL1477171 0.79 FFAR1 (0.46) FFAR1GRM5
SCHEMBL13605867 0.79 PRKCI (0.45) GRM5
Bromide SCHEMBL29784624 0.78 GLA (0.49) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306115-A1 Phenyl ethyne compounds MERCK SHARP & DOHME CORP. 2009-12-10 US disclosed
US-20090306115-A1 Phenyl ethyne compounds MERCK SHARP & DOHME CORP. 2009-12-10 US disclosed
CN-101163667-A Phenylacetylene compounds MERCK & CO INC (US) 2008-04-16 CN 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-20090306115-A1 Phenyl ethyne compounds DDT, CHRM3, CBR3 FFAR1 934/4885HAO1 3171/4885GRM5 143/4885

“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.