SCHEMBL480213

SCHEMBL480213

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2noc(CN3CCOCC3)n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.54
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPK14 Q16539 1/20 0.43
SMO Q99835 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
NAMPT P43490 1/20 0.38
GLP1R P43220 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL707836 0.96 ALOX5AP (0.51) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL707835 0.96 ALOX5AP (0.51) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL2992316 0.92 SMN1; SMN2 (0.50) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL705042 0.84 ALOX5AP (0.52) ALOX5APALDH1A1NPC1RAB9AMAPK14
SCHEMBL705041 0.84 ALOX5AP (0.52) ALOX5APALDH1A1NPC1RAB9AMAPK14
SCHEMBL709117 0.82 ALOX5AP (0.58) ALOX5APALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL9924152 0.82 ALOX5AP (0.65) ALOX5APNPC1RAB9AMAPK14SMO
SCHEMBL480175 0.81 ALOX5AP (0.67) ALOX5AP
SCHEMBL480274 0.80 ALOX5AP (0.51) ALOX5APALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL480001 0.80 ALOX5AP (0.57) ALOX5APALDH1A1SMN1; SMN2MAPT

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 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
EP-2064204-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) Merck & Co., Inc. (US) 2009-06-03 EP claimed
WO-2008030369-A1 INHIBITORS OF 5 -LIPOXYGENASE ACTIVATING PROTEIN ( FLAP) MERCK & CO., INC. (US) 2008-03-13 WO 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 14/4885ALDH1A1 173/4885SMN1; SMN2 4411/4885

“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.