SCHEMBL480273

SCHEMBL480273

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2ccc(C(C)(C)O)nn2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 1.00
ADAMTS4 O75173 1/20 0.44
MAPK14 Q16539 8/20 0.43
SMO Q99835 8/20 0.43
PARP10 Q53GL7 1/20 0.39
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL708385 0.94 ALOX5AP (0.90) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL708386 0.94 ALOX5AP (0.90) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL2997435 0.92 ALOX5AP (0.86) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL480478 0.89 ALOX5AP (0.80) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL480223 0.88 ALOX5AP (0.79) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL480396 0.87 ALOX5AP (0.77) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL708016 0.84 ALOX5AP (0.73) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL708015 0.84 ALOX5AP (0.73) ALOX5APADAMTS4MAPK14SMOPARP10
SCHEMBL9924147 0.84 ALOX5AP (0.73) ALOX5APADAMTS4MAPK14SMONPC1
SCHEMBL706834 0.84 ALOX5AP (0.72) ALOX5APADAMTS4

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 10 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
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
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 14/4885ADAMTS4 1238/4885MAPK14 2417/4885

“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.