SCHEMBL480001

SCHEMBL480001

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2noc(C3(N)CC3)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.57
ADAMTS4 O75173 1/20 0.36
SYK P43405 3/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
PARP10 Q53GL7 1/20 0.34
ALOX5 P09917 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIT P10721 1/20 0.33
MAPT P10636 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL9924140 0.95 ALOX5AP (0.53) ALOX5APADAMTS4SYKHDAC1HDAC6
SCHEMBL2991804 0.92 ALOX5AP (0.47) ALOX5APADAMTS4SYKPARP10ALOX5
SCHEMBL9924145 0.86 ALOX5AP (0.41) ALOX5APKITMAPT
SCHEMBL480298 0.85 ALOX5AP (0.39) ALOX5APSMN1; SMN2MAPT
SCHEMBL480175 0.83 ALOX5AP (0.67) ALOX5APADAMTS4HDAC1HDAC6HDAC5
SCHEMBL3000791 0.81 ALOX5AP (0.49) ALOX5APADAMTS4SYKPARP10ALOX5
SCHEMBL709386 0.80 ALOX5AP (0.56) ALOX5APADAMTS4SYKHDAC1HDAC6
SCHEMBL706788 0.80 ALOX5AP (0.56) ALOX5APADAMTS4SYKHDAC1HDAC6
SCHEMBL9924141 0.80 ALOX5AP (0.36) ALOX5AP
SCHEMBL480213 0.80 ALOX5AP (0.54) 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 8 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

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 1238/4885SYK 3640/4885

“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.