SCHEMBL708956

SCHEMBL708956

CC(C)C(C)(c1ccc(I)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.62
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS4 O75173 1/20 0.39
APP P05067 1/20 0.38
PARP10 Q53GL7 1/20 0.38
MAOB P27338 1/20 0.37
SYK P43405 4/20 0.36
AURKB Q96GD4 1/20 0.36
INCENP Q9NQS7 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL9924109 0.90 ALOX5AP (0.63) ALOX5APALDH1A1KDM4ESMN1; SMN2ADAMTS4
SCHEMBL2998006 0.88 ALOX5AP (0.55) ALOX5APALDH1A1KDM4ESMN1; SMN2ADAMTS4
SCHEMBL14397112 0.88 ALOX5AP (0.61) ALOX5APALDH1A1KDM4ESMN1; SMN2ADAMTS4
SCHEMBL708933 0.87 ALOX5AP (0.48) ALOX5APAPPRAB9A
SCHEMBL707618 0.86 ALOX5AP (0.62) ALOX5APALDH1A1KDM4ESMN1; SMN2ADAMTS4
SCHEMBL9924108 0.86 ALOX5AP (0.59) ALOX5APALDH1A1KDM4ESMN1; SMN2ADAMTS4
SCHEMBL14275821 0.85 ALOX5AP (0.66) ALOX5APALDH1A1KDM4ESMN1; SMN2ADAMTS4
SCHEMBL480305 0.85 ALOX5AP (0.69) ALOX5APALDH1A1KDM4ESMN1; SMN2ADAMTS4
SCHEMBL704993 0.83 ALOX5AP (0.61) ALOX5APALDH1A1KDM4EADAMTS4PARP10
SCHEMBL708920 0.83 ALOX5AP (0.59) ALOX5APALDH1A1ADAMTS4PARP10MAOB

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 15 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
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-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-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
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 13/4885ALDH1A1 328/4885KDM4E 2311/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885ALDH1A1 328/4885KDM4E 2311/4885

“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.