SCHEMBL3001922

SCHEMBL3001922

CC(C)C(C)(c1ccc(O)cc1)c1ccc(C#Cc2ccccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.43
▸ ERN1 O75460 1/20 0.43
▸ GRM5 P41594 3/20 0.39

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
SCHEMBL2998064 0.87 GRM5 (0.42) FFAR1GRM5
SCHEMBL14562623 0.86 FFAR1 (0.40) FFAR1ERN1GRM5
SCHEMBL13248550 0.84 FFAR1 (0.38) FFAR1ERN1GRM5
SCHEMBL10236257 0.78 FFAR1 (0.49) FFAR1ERN1GRM5
SCHEMBL3004035 0.78 HAO1 (0.40) FFAR1ERN1GRM5
SCHEMBL13268158 0.75 CYP3A4 (0.51) —
SCHEMBL278255 0.72 ESR1 (0.56) —
SCHEMBL6766733 0.72 FFAR1 (0.49) FFAR1ERN1GRM5
Methyl Alcohol SCHEMBL28902013 0.71 GRM5 (0.67) FFAR1GRM5
SCHEMBL1809895 0.69 FFAR1 (0.58) FFAR1GRM5

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
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 — — EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — 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 (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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B FFAR1 73/4885ERN1 2084/4885GRM5 1574/4885

“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.

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