SCHEMBL480175

SCHEMBL480175

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

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.67
HDAC1 Q13547 9/20 0.42
HDAC6 Q9UBN7 9/20 0.42
HDAC5 Q9UQL6 8/20 0.42
HPGDS O60760 5/20 0.41
HDAC8 Q9BY41 3/20 0.40
ADAMTS4 O75173 1/20 0.40
CNR2 P34972 1/20 0.39
PARP10 Q53GL7 1/20 0.39

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
SCHEMBL2993255 0.91 ALOX5AP (0.56) ALOX5APHDAC1HDAC6HDAC5HPGDS
SCHEMBL709386 0.86 ALOX5AP (0.56) ALOX5APHDAC1HDAC6HDAC5HPGDS
SCHEMBL706788 0.86 ALOX5AP (0.56) ALOX5APHDAC1HDAC6HDAC5HPGDS
SCHEMBL480426 0.84 ALOX5AP (0.47) ALOX5APHDAC1HDAC6HDAC5HPGDS
SCHEMBL480001 0.83 ALOX5AP (0.57) ALOX5APHDAC1HDAC6HDAC5HDAC8
SCHEMBL709117 0.83 ALOX5AP (0.58) ALOX5APHDAC1HDAC6HDAC5ADAMTS4
SCHEMBL3003924 0.82 ALOX5AP (0.49) ALOX5APHDAC1HDAC6HDAC5HDAC8
SCHEMBL9924137 0.82 ALOX5AP (0.53) ALOX5APHDAC1HDAC6HDAC5HPGDS
SCHEMBL480213 0.81 ALOX5AP (0.54) ALOX5AP
SCHEMBL3000129 0.81 AOC3 (0.43) ALOX5APHDAC1HDAC6HDAC5HPGDS

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 14/4885HDAC1 1862/4885HDAC6 2362/4885

“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.