SCHEMBL480227

SCHEMBL480227

COc1cncc(-c2ccc(C(C)(c3ccc(C#N)cn3)C(C)C)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.63
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
ALPL P05186 3/20 0.40
XDH P47989 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
CYP2C19 P33261 1/20 0.35
KIF11 P52732 1/20 0.35
AKT1 P31749 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL10197150 0.84 ALOX5AP (0.70) ALOX5APCYP11B1CYP11B2XDHCYP1A2
SCHEMBL13262105 0.81 ALOX5AP (0.66) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL480237 0.79 ALOX5AP (0.64) ALOX5APCYP11B1CYP11B2XDHCYP1A2
SCHEMBL480222 0.79 ALOX5AP (0.67) ALOX5APCYP11B1CYP11B2ALPLXDH
SCHEMBL480265 0.78 ALOX5AP (0.80) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL9936466 0.78 ALOX5AP (0.51) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL10198938 0.78 ALOX5AP (0.79) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL480198 0.78 ALOX5AP (0.62) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL10198935 0.78 ALOX5AP (0.62) ALOX5APCYP11B1CYP11B2CYP1A2CYP3A4
SCHEMBL2795316 0.78 ALOX5AP (0.62) ALOX5APCYP11B1CYP11B2ALPLXDH

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 ALOX5AP 14/4885CYP11B1 251/4885CYP11B2 294/4885

“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.