SCHEMBL2993311

SCHEMBL2993311

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(C(=O)NNC(=O)CCl)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.51
PARP10 Q53GL7 1/20 0.49
MAPK14 Q16539 2/20 0.46
SMO Q99835 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.45
CDK5 Q00535 1/20 0.45
PAX8 Q06710 1/20 0.45
CDK5R1 Q15078 1/20 0.45
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL14008636 0.89 ALOX5AP (0.53) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL2999279 0.86 PARP10 (0.57) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL3000321 0.85 ALOX5AP (0.52) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL2248223 0.84 ALOX5AP (0.55) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL3000832 0.84 ALOX5AP (0.56) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL3000149 0.84 ALOX5AP (0.56) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL13267977 0.82 ALOX5AP (0.51) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL2995849 0.80 GPR132 (0.52) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL2996721 0.80 ALOX5AP (0.52) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL13248452 0.80 ALOX5AP (0.49) ALOX5APPARP10MAPK14SMOSMN1; SMN2

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 ALOX5AP 15/4885PARP10 1048/4885MAPK14 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.