SCHEMBL480223

SCHEMBL480223

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

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.79
ADAMTS4 O75173 1/20 0.46
MAPK14 Q16539 8/20 0.43
SMO Q99835 8/20 0.43
MAOB P27338 1/20 0.40
PARP10 Q53GL7 1/20 0.39
ALOX5 P09917 1/20 0.38
DHODH Q02127 1/20 0.38
MCL1 Q07820 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL480396 0.91 ALOX5AP (0.77) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL480273 0.88 ALOX5AP (1.00) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL707244 0.87 ALOX5AP (0.70) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL480478 0.86 ALOX5AP (0.80) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL708386 0.83 ALOX5AP (0.90) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL3001625 0.83 ALOX5AP (0.64) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL708385 0.83 ALOX5AP (0.90) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL708016 0.82 ALOX5AP (0.73) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL708015 0.82 ALOX5AP (0.73) ALOX5APADAMTS4MAPK14SMOMAOB
SCHEMBL9924147 0.82 ALOX5AP (0.73) ALOX5APADAMTS4MAPK14SMOCYP3A4

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 5 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

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.