SCHEMBL3091208

SCHEMBL3091208

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2cn3ncsc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK14 Q16539 4/20 0.39
▸ SMO Q99835 4/20 0.39
▸ F2RL3 Q96RI0 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ ADAMTS4 O75173 1/20 0.38
▸ ALOX5AP P20292 3/20 0.37
▸ PARP10 Q53GL7 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ INCENP Q9NQS7 1/20 0.35

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
SCHEMBL3000545 0.83 SMN1; SMN2 (0.50) TP53MAPTMAPK14SMOHPGD
SCHEMBL3091216 0.81 ALOX5AP (0.40) MAPK14SMOHPGDADAMTS4ALOX5AP
SCHEMBL2992051 0.79 PDE10A (0.38) MAPTMAPK14SMOF2RL3HPGD
SCHEMBL2996124 0.79 KMT2A (0.47) TP53MAPTGAAHPGDADAMTS4
SCHEMBL2994401 0.78 RAB9A (0.55) TP53MAPTGAAHPGDPOLB
SCHEMBL3002623 0.77 KDM4E (0.42) MAPK14SMOHPGDADAMTS4ALOX5AP
SCHEMBL2997210 0.75 HPGD (0.42) MAPK14SMOHPGDADAMTS4ALOX5AP
SCHEMBL2994531 0.74 ALOX5AP (0.49) MAPTMAPK14SMOHPGDADAMTS4
SCHEMBL3002189 0.74 ALOX5AP (0.43) MAPTMAPK14SMOHPGDADAMTS4
SCHEMBL2994348 0.74 ALOX5AP (0.41) MAPK14SMOADAMTS4ALOX5APPARP10

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 TP53 4822/4885MAPT 4788/4885GAA 1377/4885

“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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