SCHEMBL480206

SCHEMBL480206

CC(C)C(C)(c1ccc(-c2cncc(O)c2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.64
TRPV3 Q8NET8 12/20 0.37
MAP4K4 O95819 1/20 0.36
PIK3CA P42336 1/20 0.36
KCNH2 Q12809 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
LGMN Q99538 1/20 0.32
NR1I2 O75469 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL480262 0.86 ALOX5AP (0.82) ALOX5APTRPV3MAP4K4PIK3CAKCNH2
SCHEMBL480245 0.84 ALOX5AP (0.68) ALOX5APTRPV3MAP4K4PIK3CAKCNH2
SCHEMBL480271 0.84 ALOX5AP (0.68) ALOX5APTRPV3
SCHEMBL480192 0.84 ALOX5AP (0.68) ALOX5APTRPV3MAP4K4PIK3CAKCNH2
SCHEMBL707619 0.84 ALOX5AP (0.56) ALOX5APTRPV3NR1I2CYP2C9
SCHEMBL480477 0.83 ALOX5AP (0.66) ALOX5APTRPV3MAP4K4PIK3CAKCNH2
SCHEMBL480189 0.82 ALOX5AP (0.63) ALOX5APCYP2C9
SCHEMBL9924164 0.82 ALOX5AP (0.76) ALOX5APTRPV3CYP2C9
SCHEMBL707655 0.82 ALOX5AP (0.80) ALOX5APTRPV3MAP4K4PIK3CAKCNH2
SCHEMBL10198932 0.80 ALOX5AP (0.51) ALOX5APLGMNNR1I2CYP2C9

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 9 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
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
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
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 14/4885TRPV3 892/4885MAP4K4 3188/4885

“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.