SCHEMBL9924099

SCHEMBL9924099

CC(C)C(C)(c1ccc(C#N)cc1)c1ccc(OCc2nccs2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
ALOX5AP P20292 3/20 0.41
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
FFAR1 O14842 1/20 0.34
DGKZ Q13574 1/20 0.32
MAOB P27338 1/20 0.32
MMP13 P45452 2/20 0.32
MMP9 P14780 1/20 0.32
ADAM17 P78536 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ADAMTS4 O75173 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
KCNA5 P22460 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL2798446 0.95 ACACB (0.42) ACACBALOX5APFFAR1DGKZMAOB
SCHEMBL3000188 0.90 ACACB (0.46) ACACBALOX5APFFAR1DGKZMAOB
SCHEMBL14396684 0.87 ALOX5AP (0.41) ACACBALOX5APMMP13MMP9ADAM17
SCHEMBL9924094 0.86 ALOX5AP (0.41) ACACBALOX5APMMP13MMP9ADAM17
SCHEMBL9924098 0.83 ALOX5AP (0.48) ALOX5APCYP4F2CYP4A11FFAR1MAOB
SCHEMBL707618 0.80 ALOX5AP (0.62) ALOX5APCYP4F2CYP4A11FFAR1MAOB
SCHEMBL707622 0.79 ALOX5AP (0.63) ACACBALOX5APCYP4F2CYP4A11MMP13
SCHEMBL709308 0.79 ALOX5AP (0.63) ACACBALOX5APCYP4F2CYP4A11MMP13
SCHEMBL9924120 0.78 ALOX5AP (0.46) ACACBALOX5APMMP13MMP9ADAM17
SCHEMBL9924138 0.77 ALOX5AP (0.38) ACACBALOX5AP

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 10 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-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 ACACB 578/4885ALOX5AP 13/4885CYP4F2 402/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 ACACB 578/4885ALOX5AP 13/4885CYP4F2 402/4885

“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.