SCHEMBL480217

SCHEMBL480217

COc1cncc(-c2ccc(C(C)(c3ccc(-c4noc(CO)n4)cn3)C(C)C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.60
MAPT P10636 6/20 0.41
TSHR P16473 3/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GSTP1 P09211 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL480248 0.88 ALOX5AP (0.57) ALOX5APMAPTTSHRMKNK1MKNK2
SCHEMBL480440 0.87 ALOX5AP (0.55) ALOX5APMAPTTSHRNPY1RNPY2R
SCHEMBL480260 0.87 ALOX5AP (0.53) ALOX5APMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL480146 0.86 ALOX5AP (0.66) ALOX5APMAPTMKNK1MKNK2SMN1; SMN2
SCHEMBL480247 0.86 ALOX5AP (0.66) ALOX5APMAPTMKNK1MKNK2SMN1; SMN2
SCHEMBL480195 0.86 ALOX5AP (0.52) ALOX5APMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL480274 0.85 ALOX5AP (0.51) ALOX5APMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL480250 0.85 ALOX5AP (0.58) ALOX5APMAPTMKNK1MKNK2SMN1; SMN2
SCHEMBL13262106 0.84 ALOX5AP (0.51) ALOX5APMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL480391 0.84 ALOX5AP (0.53) ALOX5APMAPTTSHRSMN1; SMN2ALDH1A1

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 disclosed
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
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
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US 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 14/4885MAPT 4793/4885TSHR 4425/4885

“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.