SCHEMBL3000768

SCHEMBL3000768

CC(C)C(C)(c1ccc(C#N)cc1)c1ccc(OCc2ncccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
NR1H4 Q96RI1 2/20 0.41
FFAR1 O14842 1/20 0.40
ALOX5AP P20292 1/20 0.39
CYP19A1 P11511 6/20 0.37
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 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
SCHEMBL9924098 0.90 ALOX5AP (0.48) MAOBNR1H4FFAR1ALOX5APCYP19A1
SCHEMBL13248358 0.86 ALOX5AP (0.53) MAOBNR1H4FFAR1ALOX5APCYP19A1
SCHEMBL2995588 0.84 APP (0.49) ALOX5APRAB9A
SCHEMBL3000188 0.80 ACACB (0.46) MAOBNR1H4FFAR1ALOX5APCYP19A1
SCHEMBL2995380 0.80 CYP19A1 (0.45) MAOBNR1H4FFAR1CYP19A1ALDH1A1
SCHEMBL3626112 0.78 MAOB (0.49) MAOBFFAR1CYP19A1RAB9AAR
SCHEMBL30468703 0.78 KIF11 (0.55) CYP19A1KIF11ALDH1A1MEN1
SCHEMBL2993073 0.78 MAPT (0.47) NR1H4ALOX5APMEN1RAB9A
SCHEMBL707618 0.77 ALOX5AP (0.62) MAOBFFAR1ALOX5APCYP19A1ALDH1A1
SCHEMBL2989086 0.77 GPBAR1 (0.39) MAOBNR1H4FFAR1ALOX5APCYP19A1

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 MAOB 1032/4885NR1H4 925/4885FFAR1 73/4885

“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.