SCHEMBL2989086

SCHEMBL2989086

CC(C)C(C)(c1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.39
GRM5 P41594 2/20 0.39
ALOX5AP P20292 1/20 0.39
CYP19A1 P11511 8/20 0.38
RORC P51449 1/20 0.36
MAOB P27338 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CNR2 P34972 1/20 0.36
FFAR1 O14842 1/20 0.35

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
SCHEMBL2998755 0.86 APP (0.44) GRM5ALOX5APCNR2
SCHEMBL13248358 0.81 ALOX5AP (0.53) ALOX5APCYP19A1MAOBNR1H4FFAR1
SCHEMBL26123199 0.77 GRM5 (0.47) GRM5CYP19A1RORCMAOB
SCHEMBL31399246 0.77 GRM5 (0.47) GRM5CYP19A1RORCMAOB
SCHEMBL3000768 0.77 MAOB (0.43) ALOX5APCYP19A1MAOBNR1H4FFAR1
SCHEMBL707618 0.75 ALOX5AP (0.62) ALOX5APCYP19A1MAOBFFAR1
SCHEMBL480209 0.73 ALOX5AP (0.63) ALOX5APCYP19A1MAOBFFAR1
SCHEMBL30468703 0.73 KIF11 (0.55) CYP19A1
SCHEMBL3000188 0.73 ACACB (0.46) ALOX5APCYP19A1MAOBNR1H4FFAR1
SCHEMBL24301598 0.71 GRM5 (0.38) GRM5CYP19A1MAOBFFAR1

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 4 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
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B GPBAR1 295/4885GRM5 1574/4885ALOX5AP 15/4885

“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.