SCHEMBL10197152

SCHEMBL10197152

COC(=O)c1ccc(C(C)(c2ccc(-c3ccc(-n4c(C)ccc4C)nn3)cc2)C(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.46
MAPK1 P28482 2/20 0.36
TP53 P04637 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 2/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.34
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL13262159 0.83 ALOX5AP (0.49) ALOX5AP
SCHEMBL13262240 0.83 ALOX5AP (0.48) ALOX5APCYP2C9
SCHEMBL13230132 0.83 ALOX5AP (0.45) ALOX5APMAPK1MAPTPOLBRAB9A
SCHEMBL10199229 0.79 KDM4E (0.48) ALOX5APKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL10196353 0.79 MAPK1 (0.37) MAPK1TP53MAPTPOLBRAB9A
SCHEMBL10198931 0.78 ALOX5AP (0.43) ALOX5APTP53MAPTRAB9AKMT2A
SCHEMBL2991950 0.75 ALOX5AP (0.42) ALOX5AP
SCHEMBL2995893 0.75 ALOX5AP (0.38) ALOX5APPOLBRAB9AKDM4EALDH1A1
SCHEMBL480235 0.75 ALOX5AP (0.62) ALOX5APMAPK1KDM4EL3MBTL1
SCHEMBL480222 0.72 ALOX5AP (0.67) ALOX5APMAPK1CYP1A2CYP3A4CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 14/4885MAPK1 1844/4885TP53 4834/4885

“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.