SCHEMBL3001625

SCHEMBL3001625

COC(=O)c1ccc(-c2ccc(C(C)(c3ccc(OCc4ccccn4)cc3)C(C)C)cc2)nn1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.64
MAPK14 Q16539 10/20 0.47
SMO Q99835 10/20 0.47
ADAMTS4 O75173 1/20 0.44
PARP10 Q53GL7 1/20 0.41
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL480396 0.92 ALOX5AP (0.77) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL707244 0.91 ALOX5AP (0.70) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL3003688 0.84 ALOX5AP (0.65) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL3002644 0.84 ALOX5AP (0.66) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL2999380 0.83 ALOX5AP (0.66) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL3626552 0.83 ALOX5AP (0.66) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL2248223 0.83 ALOX5AP (0.55) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL480223 0.83 ALOX5AP (0.79) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL2997435 0.83 ALOX5AP (0.86) ALOX5APMAPK14SMOADAMTS4PARP10
SCHEMBL2995111 0.83 ALOX5AP (0.43) ALOX5APNPC1MAPTRAB9A

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 6 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
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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 15/4885MAPK14 2199/4885SMO 2133/4885

“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.