SCHEMBL2995380

SCHEMBL2995380

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

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.45
MAOB P27338 1/20 0.44
FFAR1 O14842 1/20 0.41
NR1H4 Q96RI1 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.36
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL9924103 0.89 CYP19A1 (0.40) CYP19A1MAOBFFAR1NR1H4
SCHEMBL2246114 0.86 FFAR1 (0.49) CYP19A1MAOBFFAR1ALDH1A1
SCHEMBL3000768 0.80 MAOB (0.43) CYP19A1MAOBFFAR1NR1H4ALDH1A1
SCHEMBL3626112 0.80 MAOB (0.49) CYP19A1MAOBFFAR1RAB9ACYP3A4
SCHEMBL30509596 0.77 KIF11 (0.47) CYP19A1ALDH1A1CYP3A4
SCHEMBL9924105 0.77 FFAR1 (0.46) CYP19A1MAOBFFAR1ALDH1A1
SCHEMBL13248362 0.76 KDM4E (0.53) ALDH1A1RAB9ACYP3A4
SCHEMBL2795215 0.75 CYP11B1 (0.43) CYP19A1MAOBFFAR1ALDH1A1CYP3A4
SCHEMBL9924098 0.73 ALOX5AP (0.48) CYP19A1MAOBFFAR1NR1H4ALDH1A1
SCHEMBL24645112 0.73 KDM4E (0.38) CYP19A1MAOBFFAR1CYP26A1CYP3A4

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 CYP19A1 835/4885MAOB 1032/4885FFAR1 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.