SCHEMBL3000897

SCHEMBL3000897

CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1ccc(-c2ccc(C(C)(C)O)nn2)cc1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 18/20 0.87
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
FEN1 P39748 4/20 0.33
GCK P35557 1/20 0.33
GCKR Q14397 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
SCHEMBL480259 0.93 ALOX5AP (1.00) ALOX5APLMNAMAPTFEN1GCK
SCHEMBL480221 0.93 ALOX5AP (1.00) ALOX5APLMNAMAPTFEN1GCK
SCHEMBL3001060 0.85 ALOX5AP (0.64) ALOX5APGCKGCKR
SCHEMBL480102 0.84 ALOX5AP (0.80) ALOX5APGCKGCKR
SCHEMBL480220 0.84 ALOX5AP (0.80) ALOX5APGCKGCKR
SCHEMBL2998157 0.83 ALOX5AP (0.64) ALOX5APLMNAMAPTFEN1
SCHEMBL9924166 0.81 ALOX5AP (0.72) ALOX5APFEN1
SCHEMBL707655 0.81 ALOX5AP (0.80) ALOX5APFEN1
SCHEMBL480253 0.80 ALOX5AP (0.74) ALOX5APLMNAMAPTGCKGCKR
SCHEMBL480242 0.80 ALOX5AP (0.74) ALOX5APLMNAMAPTGCKGCKR

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
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP claimed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US claimed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP claimed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 WO claimed
EP-2546232-A1 Diphenyl Substituted Alkanes Merck Sharp & Dohme Corp. (US) 2013-01-16 EP disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
EP-2170065-A1 DIPHENYL SUBSTITUTED ALKANES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156721-A1 DIPHENYL SUBSTITUTED ALKANES MERCK & CO., INC. (US) 2008-12-24 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ALOX5AP 15/4885LMNA 1430/4885MAPT 4788/4885

“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.