SCHEMBL3000311

SCHEMBL3000311

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2n[nH]c(=O)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.52
▸ NOTUM Q6P988 10/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CXCR3 P49682 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ HPGD P15428 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ ADAMTS4 O75173 1/20 0.41

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
SCHEMBL3001615 0.81 MAOB (0.42) ALOX5APNOTUMGPR119HPGDKDM4E
SCHEMBL2245993 0.80 KDM4E (0.50) ALOX5APNOTUMMEN1KMT2AGPR119
SCHEMBL2990587 0.80 ALDH1A1 (0.53) ALDH1A1PDE10A
SCHEMBL2995823 0.79 MAOB (0.45) KMT2AGPR119KDM4EALDH1A1SMN1; SMN2
SCHEMBL2997210 0.79 HPGD (0.42) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL978001 0.78 MEN1 (0.45) ALOX5APNOTUMMEN1KMT2ACXCR3
SCHEMBL13902771 0.77 KMT2A (0.53) KMT2ACXCR3ALDH1A1
SCHEMBL2246698 0.77 DHODH (0.41) ALOX5APHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2986694 0.77 MAOB (0.47) HPGDADAMTS4
SCHEMBL13248546 0.77 PARP10 (0.49) ALOX5APHPGDKDM4EALDH1A1SMN1; 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 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 ALOX5AP 15/4885NOTUM 253/4885MEN1 4664/4885

“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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