SCHEMBL3000832

SCHEMBL3000832

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.56
PARP10 Q53GL7 1/20 0.56
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
NR4A2 P43354 2/20 0.50
MAOB P27338 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
ADAMTS4 O75173 1/20 0.47
MAPK14 Q16539 2/20 0.46
SMO Q99835 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
SRD5A2 P31213 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL3000149 0.91 ALOX5AP (0.56) ALOX5APPARP10MAOBADAMTS4MAPK14
SCHEMBL2999279 0.89 PARP10 (0.57) ALOX5APPARP10MAOBMAPK14SMO
SCHEMBL2248223 0.89 ALOX5AP (0.55) ALOX5APPARP10MAOBADAMTS4MAPK14
SCHEMBL14008636 0.87 ALOX5AP (0.53) ALOX5APPARP10MAOBADAMTS4MAPK14
SCHEMBL3000321 0.85 ALOX5AP (0.52) ALOX5APPARP10MAPK14SMOSMN1; SMN2
SCHEMBL2354790 0.85 PARP10 (0.75) ALOX5APPARP10NR4A2MAOBGPBAR1
SCHEMBL2995849 0.85 GPR132 (0.52) ALOX5APPARP10MAOBADAMTS4MAPK14
SCHEMBL3002224 0.84 ALOX5AP (0.59) ALOX5APPARP10MAOBADAMTS4MAPK14
SCHEMBL2996721 0.84 ALOX5AP (0.52) ALOX5APPARP10MAOBADAMTS4MAPK14
SCHEMBL14642215 0.84 ALOX5AP (0.56) ALOX5APPARP10MAOBADAMTS4KDM4E

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 2 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
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 1048/4885RXRA 2457/4885

“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.