SCHEMBL480192

SCHEMBL480192

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

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.68
CHRNB1 P11230 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNB3 Q05901 1/20 0.38
TRPV3 Q8NET8 9/20 0.33
AKT1 P31749 4/20 0.33
LGMN Q99538 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIK3CA P42336 1/20 0.32
KCNH2 Q12809 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL480271 0.93 ALOX5AP (0.68) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL480477 0.91 ALOX5AP (0.66) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL480262 0.90 ALOX5AP (0.82) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL480245 0.89 ALOX5AP (0.68) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL480189 0.88 ALOX5AP (0.63) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL9924164 0.87 ALOX5AP (0.76) ALOX5APCHRNB1CHRNB2CHRNB4CHRNA3
SCHEMBL480206 0.84 ALOX5AP (0.64) ALOX5APTRPV3LGMNMAP4K4PIK3CA
SCHEMBL480286 0.81 ALOX5AP (1.00) ALOX5APMAP4K4CYP11B1CYP11B2
SCHEMBL480275 0.81 ALOX5AP (1.00) ALOX5APMAP4K4CYP11B1CYP11B2
SCHEMBL480265 0.80 ALOX5AP (0.80) ALOX5APMAP4K4CYP11B1CYP11B2

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 12 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 claimed
EP-2064204-B1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK SHARP & DOHME (US) 2012-02-01 EP claimed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US claimed
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 14/4885CHRNB1 3493/4885CHRNB2 4339/4885

“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.