SCHEMBL2991804

SCHEMBL2991804

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
SYK P43405 3/20 0.38
PARP10 Q53GL7 1/20 0.38
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PPARD Q03181 4/20 0.36
PPARA Q07869 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
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
SCHEMBL480001 0.92 ALOX5AP (0.57) ALOX5APSYKPARP10ALOX5SMN1; SMN2
SCHEMBL9924140 0.92 ALOX5AP (0.53) ALOX5APSYKPARP10ALOX5SMN1; SMN2
SCHEMBL3000791 0.89 ALOX5AP (0.49) ALOX5APSYKPARP10ALOX5SMN1; SMN2
SCHEMBL2996014 0.84 ALOX5AP (0.46) ALOX5APPARP10ALOX5SMN1; SMN2PPARD
SCHEMBL2988831 0.84 ALOX5AP (0.52) ALOX5APSYKPARP10SMN1; SMN2KDM4E
SCHEMBL3003924 0.83 ALOX5AP (0.49) ALOX5APSYKPARP10PPARDPPARA
SCHEMBL3000722 0.83 ACACB (0.35) ALOX5APPPARDPPARANPC1RAB9A
SCHEMBL3658493 0.83 ALOX5AP (0.45) ALOX5APPARP10ALOX5SMN1; SMN2PPARD
SCHEMBL9924145 0.82 ALOX5AP (0.41) ALOX5APPPARDPPARANPC1RAB9A
SCHEMBL2993389 0.81 ALOX5AP (0.49) ALOX5APSMN1; SMN2KDM4EALDH1A1NPC1

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 15/4885SYK 3416/4885PARP10 1048/4885

“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.