SCHEMBL2999279

SCHEMBL2999279

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NN)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.57
ALOX5AP P20292 1/20 0.55
MAPK14 Q16539 6/20 0.49
SMO Q99835 6/20 0.49
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2999518 0.89 ALOX5AP (0.51) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL14008636 0.89 ALOX5AP (0.53) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL2248223 0.89 ALOX5AP (0.55) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL3000832 0.89 ALOX5AP (0.56) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL3000149 0.89 ALOX5AP (0.56) PARP10ALOX5APMAPK14SMOALDH1A1
SCHEMBL3000321 0.87 ALOX5AP (0.52) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL2993311 0.86 ALOX5AP (0.51) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL13267977 0.86 ALOX5AP (0.51) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL2995849 0.85 GPR132 (0.52) PARP10ALOX5APMAPK14SMOHPGD
SCHEMBL2996721 0.84 ALOX5AP (0.52) PARP10ALOX5APMAPK14SMOHPGD

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
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

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 PARP10 1048/4885ALOX5AP 15/4885MAPK14 2199/4885

“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.