SCHEMBL709117

SCHEMBL709117

CC(C)C(C)(c1ccc(-c2noc(CO)n2)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.58
NOTUM Q6P988 2/20 0.40
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
ADAMTS4 O75173 1/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 5/20 0.37
LMNA P02545 3/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36

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 0.91 ALOX5AP (0.51) ALOX5APNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL708415 0.89 ALOX5AP (0.56) ALOX5APRAB9ANPC1SMN1; SMN2GAA
SCHEMBL707906 0.88 ALOX5AP (0.54) ALOX5APRAB9ANPC1SMN1; SMN2GAA
SCHEMBL707836 0.86 ALOX5AP (0.51) ALOX5APRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL707835 0.86 ALOX5AP (0.51) ALOX5APRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL706788 0.86 ALOX5AP (0.56) ALOX5APADAMTS4LMNAKMT2APKM
SCHEMBL709386 0.86 ALOX5AP (0.56) ALOX5APADAMTS4LMNAKMT2APKM
SCHEMBL708341 0.83 ALOX5AP (0.59) ALOX5APNOTUMRAB9ANPC1SMN1; SMN2
SCHEMBL9924140 0.83 ALOX5AP (0.53) ALOX5APRAB9ANPC1SMN1; SMN2GAA
SCHEMBL480175 0.83 ALOX5AP (0.67) ALOX5APADAMTS4HDAC1HDAC6HDAC5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013174-B1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME (US) 2013-05-08 EP disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426413-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007120574-A2 DIARYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2007-10-25 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 (2 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-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885NOTUM 239/4885RAB9A 3888/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885NOTUM 239/4885RAB9A 3888/4885

“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.