SCHEMBL2997562

SCHEMBL2997562

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cc(CN3CC(O)C3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPK14 Q16539 5/20 0.37
SMO Q99835 5/20 0.37
PPARA Q07869 2/20 0.36
PPARD Q03181 1/20 0.36
MAOB P27338 1/20 0.35
ALOX5 P09917 2/20 0.35
ADAMTS4 O75173 1/20 0.35
SYK P43405 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CXCR1 P25024 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
SCHEMBL2986565 0.92 ALOX5AP (0.47) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL2993020 0.89 ALOX5AP (0.47) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL2995851 0.87 NPC1 (0.48) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL2991943 0.87 ALOX5AP (0.46) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL2990949 0.85 ALOX5AP (0.47) ALOX5APPPARAADAMTS4SYK
SCHEMBL3001505 0.84 ALOX5AP (0.50) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL2995966 0.83 ALOX5AP (0.44) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL13267963 0.82 ALOX5AP (0.52) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL3004043 0.81 ALOX5AP (0.61) ALOX5APMAPTKDM4EMEN1KMT2A
SCHEMBL705041 0.80 ALOX5AP (0.52) ALOX5APMAPTKDM4EMEN1KMT2A

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 8 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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 15/4885MAPT 4788/4885KDM4E 2671/4885

“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.