SCHEMBL13248369

SCHEMBL13248369

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnnn2CC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ADAMTS4 O75173 1/20 0.44
▸ MAOB P27338 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ ALOX5AP P20292 6/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MAPK14 Q16539 3/20 0.39
▸ SMO Q99835 3/20 0.39
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL2248075 0.89 ALOX5AP (0.39) ALDH1A1HPGDADAMTS4PARP10ALOX5AP
SCHEMBL2244348 0.84 SYK (0.41) ALDH1A1ADAMTS4ALOX5APMAPK14SMO
SCHEMBL13902762 0.84 SYK (0.40) ALDH1A1HPGDADAMTS4PARP10ALOX5AP
SCHEMBL13248365 0.83 MEN1 (0.56) ADAMTS4MAOBPARP10
SCHEMBL2996834 0.78 ADAMTS4 (0.46) ALDH1A1HPGDADAMTS4MAOBDHODH
SCHEMBL2251349 0.78 PARP10 (0.57) ALDH1A1HPGDADAMTS4MAOBDHODH
SCHEMBL13248366 0.76 NPSR1 (0.45) PARP10ALOX5APCYP2C9
SCHEMBL2992851 0.76 PARP10 (0.57) ALDH1A1ADAMTS4MAOBPARP10
SCHEMBL2253252 0.75 PARP10 (0.74) ALDH1A1HPGDADAMTS4MAOBPARP10
SCHEMBL2246846 0.75 NPC1 (0.53) ALDH1A1ADAMTS4MAOBPARP10ALOX5AP

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 3 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
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 KDM4C 3676/4885ALDH1A1 159/4885HPGD 223/4885

“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.

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