SCHEMBL3000650

SCHEMBL3000650

CC(C)C(C)(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2ccc(CN3CCOCC3)nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.56
MAPK14 Q16539 5/20 0.44
SMO Q99835 3/20 0.44
MCHR1 Q99705 1/20 0.41
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR1 O14842 1/20 0.38
P2RY12 Q9H244 1/20 0.38
PIK3CA P42336 2/20 0.37
PRKDC P78527 1/20 0.37
SLC16A3 O15427 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CD O00329 1/20 0.36

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
SCHEMBL9924152 0.94 ALOX5AP (0.65) ALOX5APMAPK14SMOMCHR1NPC1
SCHEMBL2995851 0.85 NPC1 (0.48) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL3002644 0.83 ALOX5AP (0.66) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL2992316 0.82 SMN1; SMN2 (0.50) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL2999380 0.81 ALOX5AP (0.66) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL3626552 0.81 ALOX5AP (0.66) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL2989772 0.80 ALOX5AP (0.65) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL3000709 0.80 ALOX5AP (0.65) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL3003688 0.80 ALOX5AP (0.65) ALOX5APMAPK14SMONPC1MAPT
SCHEMBL3000899 0.80 ALOX5AP (0.65) ALOX5APMAPK14SMONPC1MAPT

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 6 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 disclosed
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
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US 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 15/4885MAPK14 2199/4885SMO 2133/4885

“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.