SCHEMBL3001615

SCHEMBL3001615

Cn1nc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)oc1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ ALOX5AP P20292 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL2995823 0.88 MAOB (0.45) MAOBKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL2986694 0.88 MAOB (0.47) MAOBADAMTS4HPGD
SCHEMBL3000311 0.81 ALOX5AP (0.52) NOTUMKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL2245993 0.80 KDM4E (0.50) NOTUMKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL2244348 0.78 SYK (0.41) KDM4EALDH1A1SMN1; SMN2ADAMTS4MAPK14
SCHEMBL3002623 0.78 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2ADAMTS4PARP10
SCHEMBL2246846 0.78 NPC1 (0.53) MAOBKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL13248546 0.76 PARP10 (0.49) MAOBKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL2991930 0.75 ALDH1A1 (0.73) MAOBKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL978594 0.75 ALOX5AP (0.54) ALOX5AP

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 MAOB 1032/4885NOTUM 253/4885KDM4E 2671/4885

“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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