SCHEMBL10199229

SCHEMBL10199229

Cc1ccc(C)n1-c1ccc(-c2ccc(C(C)(c3ccc(C#N)cn3)C(C)C)cc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX5AP P20292 3/20 0.45
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
CCR6 P51684 2/20 0.32
ATR Q13535 1/20 0.32
APLNR P35414 1/20 0.32
PANK3 Q9H999 3/20 0.31
KIF11 P52732 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL13262240 0.86 ALOX5AP (0.48) ALOX5AP
SCHEMBL13262159 0.85 ALOX5AP (0.49) ALOX5AP
SCHEMBL10199337 0.81 KDM4E (0.43) KDM4EALDH1A1L3MBTL1ALOX5APCCR6
SCHEMBL10197152 0.79 ALOX5AP (0.46) KDM4EALDH1A1L3MBTL1ALOX5APHPGD
SCHEMBL10198931 0.78 ALOX5AP (0.43) ALOX5AP
SCHEMBL10197858 0.77 KDM4E (0.49) KDM4EALDH1A1L3MBTL1HPGDHTT
SCHEMBL2991950 0.76 ALOX5AP (0.42) ALOX5AP
SCHEMBL2995893 0.76 ALOX5AP (0.38) KDM4EALDH1A1ALOX5APHPGD
SCHEMBL480230 0.73 ALOX5AP (0.60) ALOX5APCCR6ATRKIF11
SCHEMBL14397114 0.73 ALOX5AP (0.53) KDM4EALOX5AP

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.