SCHEMBL480189

SCHEMBL480189

CC(C)C(C)(c1ccc(-c2cncc(OCc3ccccc3)c2)cc1)c1ccc(-c2ccc(C(F)(F)F)nn2)cn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.63
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
ADAMTS4 O75173 3/20 0.35
MMP13 P45452 3/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
MCL1 Q07820 2/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB3 Q05901 1/20 0.35
FFAR1 O14842 3/20 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
SCHEMBL480271 0.88 ALOX5AP (0.68) ALOX5APCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL480192 0.88 ALOX5AP (0.68) ALOX5APCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL480477 0.87 ALOX5AP (0.66) ALOX5APCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL480262 0.86 ALOX5AP (0.82) ALOX5APCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL480245 0.85 ALOX5AP (0.68) ALOX5APCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL9924164 0.83 ALOX5AP (0.76) ALOX5APCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL480206 0.82 ALOX5AP (0.64) ALOX5APCYP2C9
SCHEMBL480286 0.77 ALOX5AP (1.00) ALOX5APCYP2C9SYK
SCHEMBL480275 0.77 ALOX5AP (1.00) ALOX5APCYP2C9SYK
SCHEMBL480265 0.76 ALOX5AP (0.80) ALOX5APCYP2C9

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 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
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

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 14/4885PSEN1 2400/4885PSEN2 3625/4885

“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.