SCHEMBL3106370

SCHEMBL3106370

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2noc(CF)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ PPARA Q07869 2/20 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
SCHEMBL2994400 0.87 RAB9A (0.43) MAPTALDH1A1RAB9ANPC1CASP3
SCHEMBL2990118 0.84 HPGDS (0.44) MAPTALDH1A1RAB9ANPC1CASP3
SCHEMBL2993323 0.84 PARP10 (0.43) MAPTALDH1A1RAB9ANPC1CASP3
SCHEMBL3005541 0.79 ADAMTS4 (0.43) SMN1; SMN2ACACBPPARAPPARGPARP10
SCHEMBL2990587 0.76 ALDH1A1 (0.53) ALDH1A1
SCHEMBL2994239 0.76 ALOX5AP (0.51) MAPTALDH1A1RAB9ANPC1CASP3
SCHEMBL2993389 0.76 ALOX5AP (0.49) MAPTALDH1A1RAB9ANPC1CASP3
SCHEMBL13902771 0.76 KMT2A (0.53) ALDH1A1RAB9ANPC1L3MBTL1LMNA
SCHEMBL13248546 0.75 PARP10 (0.49) MAPTALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL2246846 0.75 NPC1 (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2TDP1

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 2 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

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 MAPT 4788/4885ALDH1A1 159/4885RAB9A 4316/4885

“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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