SCHEMBL2990118

SCHEMBL2990118

CC(C)(O)c1nc(-c2ccc(C(c3ccc(OCc4ccccn4)cc3)C(C)(C)C)cc2)no1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 7/20 0.44
▸ PARP10 Q53GL7 1/20 0.43
▸ ALOX5AP P20292 2/20 0.42
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ HDAC5 Q9UQL6 3/20 0.40
▸ AOC3 Q16853 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 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
SCHEMBL2993323 0.90 PARP10 (0.43) PARP10ALOX5APHDAC1HDAC6HDAC8
SCHEMBL2994400 0.87 RAB9A (0.43) PARP10ALOX5APAOC3ALOX5ADAMTS4
SCHEMBL3005541 0.86 ADAMTS4 (0.43) PARP10ALOX5APALOX5ADAMTS4
SCHEMBL2993255 0.85 ALOX5AP (0.56) HPGDSPARP10ALOX5APHDAC1HDAC6
SCHEMBL3106370 0.84 MAPT (0.48) PARP10ALDH1A1MAPTNPC1CASP3
SCHEMBL480175 0.79 ALOX5AP (0.67) HPGDSPARP10ALOX5APHDAC1HDAC6
SCHEMBL2253252 0.77 PARP10 (0.74) PARP10ALOX5ADAMTS4ALDH1A1
SCHEMBL14562670 0.77 HDAC1 (0.42) PARP10HDAC1HDAC6HDAC8CNR2
SCHEMBL977496 0.77 ALOX5AP (0.52) ALOX5APCNR2ALOX5
SCHEMBL977497 0.77 ALOX5AP (0.52) ALOX5APCNR2ALOX5

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 4 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
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 — — EP 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 HPGDS 39/4885PARP10 1048/4885ALOX5AP 15/4885

“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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