SCHEMBL3004035

SCHEMBL3004035

CC(C)C(C)(c1ccc(C#Cc2ccccn2)cc1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ GRM5 P41594 2/20 0.38
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ ERN1 O75460 1/20 0.34

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
SCHEMBL13268163 0.80 CYP1A2 (0.41) ALOX5AP
SCHEMBL3001922 0.78 FFAR1 (0.43) FFAR1GRM5ERN1
SCHEMBL2998064 0.78 GRM5 (0.42) FFAR1GRM5
SCHEMBL13248550 0.78 FFAR1 (0.38) FFAR1GRM5ERN1
SCHEMBL14562623 0.77 FFAR1 (0.40) FFAR1GRM5ERN1
SCHEMBL2793393 0.71 ALOX5AP (0.61) ALOX5AP
SCHEMBL6766733 0.70 FFAR1 (0.49) FFAR1GRM5ERN1
SCHEMBL10236257 0.70 FFAR1 (0.49) FFAR1GRM5ERN1
SCHEMBL704827 0.68 GRM5 (0.68) HAO1FFAR1GRM5
SCHEMBL27965841 0.67 FFAR1 (0.55) FFAR1GRM5ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HAO1 711/4885FFAR1 73/4885NR1H2 136/4885

“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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