SCHEMBL480426

SCHEMBL480426

CC(C)C(C)(c1ccc(OCc2nccs2)cc1)c1ccc(-c2noc(C(C)(C)O)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.47
HPGDS O60760 7/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
HDAC8 Q9BY41 2/20 0.35
ACACB O00763 1/20 0.34
AOC3 Q16853 2/20 0.34
CASP3 P42574 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL2995463 0.91 AOC3 (0.39) ALOX5APHPGDSACACBAOC3
SCHEMBL9924138 0.87 ALOX5AP (0.38) ALOX5APHPGDSHDAC1HDAC6HDAC5
SCHEMBL480175 0.84 ALOX5AP (0.67) ALOX5APHPGDSHDAC1HDAC6HDAC5
SCHEMBL480298 0.84 ALOX5AP (0.39) ALOX5APACACBCASP3NPC1TP53
SCHEMBL9924120 0.81 ALOX5AP (0.46) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL9924141 0.79 ALOX5AP (0.36) ALOX5APACACB
SCHEMBL709308 0.77 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL707622 0.77 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL3000129 0.76 AOC3 (0.43) ALOX5APHPGDSHDAC1HDAC6HDAC5
SCHEMBL2999249 0.76 CCR6 (0.35) ALOX5APACACB

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 7 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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP 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 14/4885HPGDS 34/4885HDAC1 1862/4885

“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.