SCHEMBL480298

SCHEMBL480298

CC(C)C(C)(c1ccc(OCc2nccs2)cc1)c1ccc(-c2noc(C3(N)CC3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 7/20 0.39
ACACB O00763 1/20 0.33
CASP3 P42574 1/20 0.32
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL9924141 0.95 ALOX5AP (0.36) ALOX5APACACBHSD11B1
SCHEMBL3000722 0.92 ACACB (0.35) ALOX5APACACBCASP3NPC1RAB9A
SCHEMBL480001 0.85 ALOX5AP (0.57) ALOX5APSMN1; SMN2MAPT
SCHEMBL480426 0.84 ALOX5AP (0.47) ALOX5APACACBCASP3NPC1TP53
SCHEMBL9924145 0.82 ALOX5AP (0.41) ALOX5APCASP3NPC1RAB9AMAPT
SCHEMBL2999249 0.82 CCR6 (0.35) ALOX5APACACBMAPTHSD11B1
SCHEMBL9924138 0.81 ALOX5AP (0.38) ALOX5APACACBCASP3MAPT
SCHEMBL9924140 0.80 ALOX5AP (0.53) ALOX5APNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL480173 0.77 ALOX5AP (0.55) ALOX5APNPC1TP53RAB9ASMN1; SMN2
SCHEMBL2991804 0.76 ALOX5AP (0.47) ALOX5APCASP3NPC1RAB9ASMN1; SMN2

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 14/4885ACACB 1218/4885CASP3 638/4885

“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.