SCHEMBL707618

SCHEMBL707618

CC(C)C(C)(c1ccc(C#N)cc1)c1ccc(OCc2ccccn2)cn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.62
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
FFAR1 O14842 2/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADAMTS4 O75173 1/20 0.39
CYP19A1 P11511 6/20 0.38
PARP10 Q53GL7 1/20 0.38
MAOB P27338 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CHEK1 O14757 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

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
SCHEMBL480209 0.95 ALOX5AP (0.63) ALOX5APCYP11B1CYP11B2FFAR1KDM4E
SCHEMBL13248358 0.90 ALOX5AP (0.53) ALOX5APCYP11B1CYP11B2FFAR1KDM4E
SCHEMBL9924098 0.88 ALOX5AP (0.48) ALOX5APCYP11B1CYP11B2FFAR1ALDH1A1
SCHEMBL9924109 0.87 ALOX5AP (0.63) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL708956 0.86 ALOX5AP (0.62) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL14397112 0.85 ALOX5AP (0.61) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL14275821 0.85 ALOX5AP (0.66) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL480305 0.85 ALOX5AP (0.69) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL9924108 0.83 ALOX5AP (0.59) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4
SCHEMBL13262236 0.82 ALOX5AP (0.66) ALOX5APKDM4EALDH1A1SMN1; SMN2ADAMTS4

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 13/4885CYP11B1 371/4885CYP11B2 229/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ALOX5AP 13/4885CYP11B1 371/4885CYP11B2 229/4885

“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.