SCHEMBL10199337

SCHEMBL10199337

Cc1ccc(C)n1-c1ncc(-c2ccc(C(C)(c3ccc(C#N)cn3)C(C)C)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5AP P20292 7/20 0.43
KIF11 P52732 2/20 0.36
CCR6 P51684 2/20 0.35
PDE10A Q9Y233 1/20 0.33
MMP1 P03956 4/20 0.32
MMP2 P08253 4/20 0.32
MMP3 P08254 4/20 0.32
MMP7 P09237 4/20 0.32
MMP9 P14780 4/20 0.32
MMP13 P45452 4/20 0.32
APLNR P35414 1/20 0.31
GPR119 Q8TDV5 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
SCHEMBL13262244 0.85 ALOX5AP (0.47) KDM4EALOX5AP
SCHEMBL10199332 0.83 ALOX5AP (0.47) KDM4EALOX5AP
SCHEMBL480230 0.83 ALOX5AP (0.60) ALOX5APKIF11CCR6
SCHEMBL10199229 0.81 KDM4E (0.48) KDM4EALDH1A1L3MBTL1ALOX5APKIF11
SCHEMBL480312 0.78 ALOX5AP (0.72) KDM4EALOX5AP
SCHEMBL13230132 0.77 ALOX5AP (0.45) KDM4EALDH1A1L3MBTL1ALOX5APGPR119
SCHEMBL10198960 0.76 ALOX5AP (0.40) KDM4EALOX5AP
SCHEMBL14397114 0.76 ALOX5AP (0.53) KDM4EALOX5AP
SCHEMBL707986 0.76 ALOX5AP (0.53) KDM4EALOX5AP
SCHEMBL2796057 0.76 ALOX5AP (0.41) ALOX5APMMP1MMP2MMP3MMP7

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
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-8440672-B2 Diphenyl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B KDM4E 2454/4885ALDH1A1 173/4885L3MBTL1 2429/4885

“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.