SCHEMBL2986559

SCHEMBL2986559

COc1cncc(-c2ccc(C(C)(c3ccc(-c4ccc(C)nn4)cc3)C(C)C)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.64
CYP11B1 P15538 12/20 0.41
CYP11B2 P19099 12/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP2C19 P33261 1/20 0.37
CYP1A1 P04798 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP17A1 P05093 1/20 0.35
SLC22A12 Q96S37 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
SCHEMBL480265 0.90 ALOX5AP (0.80) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL3000550 0.86 ALOX5AP (0.85) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL3001360 0.84 ALOX5AP (0.61) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL3004289 0.79 KIF11 (0.51) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL10198938 0.78 ALOX5AP (0.79) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL480262 0.78 ALOX5AP (0.82) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL9924164 0.78 ALOX5AP (0.76) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL480275 0.78 ALOX5AP (1.00) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL480286 0.78 ALOX5AP (1.00) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL480261 0.76 ALOX5AP (0.75) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4

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 ALOX5AP 15/4885CYP11B1 237/4885CYP11B2 290/4885

“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.