SCHEMBL2993389

SCHEMBL2993389

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.49
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 6/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
ACACB O00763 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
SCHEMBL2994239 0.90 ALOX5AP (0.51) ALOX5APRAB9ANPC1CASP3SENP8
SCHEMBL2988831 0.87 ALOX5AP (0.52) ALOX5APRAB9ANPC1CASP3SENP8
SCHEMBL13248399 0.86 ALOX5AP (0.50) ALOX5APRAB9ANPC1CASP3SENP8
SCHEMBL3003924 0.85 ALOX5AP (0.49) ALOX5APRAB9ANPC1CASP3SENP8
SCHEMBL2993255 0.85 ALOX5AP (0.56) ALOX5APLMNAKMT2A
SCHEMBL2992316 0.84 SMN1; SMN2 (0.50) ALOX5APRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL3002224 0.83 ALOX5AP (0.59) ALOX5APSMN1; SMN2ALDH1A1KDM4E
SCHEMBL709117 0.82 ALOX5AP (0.58) ALOX5APRAB9ANPC1CASP3SENP8
SCHEMBL3001505 0.82 ALOX5AP (0.50) ALOX5APRAB9ANPC1SMN1; SMN2TDP1
SCHEMBL2991804 0.81 ALOX5AP (0.47) ALOX5APRAB9ANPC1CASP3SENP8

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 15/4885RAB9A 4316/4885NPC1 603/4885

“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.