SCHEMBL2990587

SCHEMBL2990587

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2noc(=O)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ PLA2G2A P14555 14/20 0.48
▸ PLA2G10 O15496 5/20 0.48
▸ PLA2G1B P04054 4/20 0.48
▸ PLA2G5 P39877 4/20 0.48
▸ DHODH Q02127 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ RARB P10826 1/20 0.42
▸ BPGM P07738 1/20 0.42

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
SCHEMBL13248543 0.80 DHODH (0.43) ALDH1A1DHODHPDE10A
SCHEMBL3000311 0.80 ALOX5AP (0.52) ALDH1A1PDE10A
SCHEMBL2246698 0.79 DHODH (0.41) ALDH1A1DHODHPDE10A
SCHEMBL2994400 0.78 RAB9A (0.43) ALDH1A1DHODH
SCHEMBL2997210 0.77 HPGD (0.42) ALDH1A1DHODHPDE10A
SCHEMBL13248546 0.77 PARP10 (0.49) ALDH1A1
SCHEMBL2993323 0.76 PARP10 (0.43) ALDH1A1
SCHEMBL3106370 0.76 MAPT (0.48) ALDH1A1
SCHEMBL2990118 0.76 HPGDS (0.44) ALDH1A1
SCHEMBL2991930 0.76 ALDH1A1 (0.73) ALDH1A1PDE10A

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 ALDH1A1 159/4885PLA2G2A 185/4885PLA2G10 154/4885

“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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