SCHEMBL3000550

SCHEMBL3000550

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

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.85
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP11B1 P15538 9/20 0.39
CYP11B2 P19099 9/20 0.39
CYP3A4 P08684 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP17A1 P05093 3/20 0.38
CYP2C19 P33261 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
MAP4K4 O95819 1/20 0.34
CTPS1 P17812 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL480286 0.92 ALOX5AP (1.00) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL480275 0.92 ALOX5AP (1.00) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL2986559 0.86 ALOX5AP (0.64) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL480262 0.82 ALOX5AP (0.82) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL9924164 0.82 ALOX5AP (0.76) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL3001360 0.81 ALOX5AP (0.61) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL480265 0.81 ALOX5AP (0.80) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL10198938 0.80 ALOX5AP (0.79) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL480257 0.79 ALOX5AP (0.77) ALOX5APMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL480261 0.77 ALOX5AP (0.75) ALOX5APMKNK1MKNK2CYP11B1CYP11B2

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 7 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 claimed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP claimed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO claimed
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 15/4885MKNK1 4131/4885MKNK2 4146/4885

“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.