SCHEMBL3000791

SCHEMBL3000791

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2noc(C3(O)CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.49
ALOX5 P09917 1/20 0.39
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
PARP10 Q53GL7 1/20 0.38
SYK P43405 3/20 0.37
CCR6 P51684 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MAPK14 Q16539 2/20 0.36
SMO Q99835 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 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
SCHEMBL2991804 0.89 ALOX5AP (0.47) ALOX5APALOX5PPARDPPARAPARP10
SCHEMBL2996014 0.86 ALOX5AP (0.46) ALOX5APALOX5PPARDPPARAPARP10
SCHEMBL3658493 0.84 ALOX5AP (0.45) ALOX5APALOX5PPARDPPARAPARP10
SCHEMBL2988831 0.84 ALOX5AP (0.52) ALOX5APPPARDPPARAPARP10SYK
SCHEMBL2994239 0.83 ALOX5AP (0.51) ALOX5APPPARDPPARAPARP10LMNA
SCHEMBL2993255 0.83 ALOX5AP (0.56) ALOX5APALOX5PPARDPPARAPARP10
SCHEMBL2999249 0.83 CCR6 (0.35) ALOX5APPPARDPPARACCR6MAPT
SCHEMBL3002557 0.82 ALOX5AP (0.49) ALOX5APALOX5PARP10SYKKMT2A
SCHEMBL2993389 0.81 ALOX5AP (0.49) ALOX5APLMNAKMT2ANPC1CASP3
SCHEMBL3003924 0.81 ALOX5AP (0.49) ALOX5APPPARDPPARAPARP10SYK

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 15/4885ALOX5 1/4885PPARD 1533/4885

“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.