SCHEMBL2990063

SCHEMBL2990063

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.52
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
SYK P43405 1/20 0.34
JAK2 O60674 1/20 0.34
MLYCD O95822 1/20 0.33
BRD9 Q9H8M2 1/20 0.31
HSD11B1 P28845 1/20 0.31
FEN1 P39748 1/20 0.31
GCK P35557 1/20 0.30
GCKR Q14397 1/20 0.30

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
SCHEMBL3001060 0.91 ALOX5AP (0.64) ALOX5APTLR9TLR8TLR7JAK2
SCHEMBL480232 0.86 ALOX5AP (0.65) ALOX5APTLR9TLR8TLR7SYK
SCHEMBL480207 0.86 ALOX5AP (0.65) ALOX5APTLR9TLR8TLR7SYK
SCHEMBL3662212 0.86 ALOX5AP (0.44) ALOX5APTLR9TLR8TLR7JAK2
SCHEMBL480102 0.81 ALOX5AP (0.80) ALOX5APSYKJAK2GCKGCKR
SCHEMBL480220 0.81 ALOX5AP (0.80) ALOX5APSYKJAK2GCKGCKR
SCHEMBL2991950 0.78 ALOX5AP (0.42) ALOX5APBRD9
SCHEMBL3000897 0.76 ALOX5AP (0.87) ALOX5APFEN1GCKGCKR
SCHEMBL976668 0.75 HSD11B1 (0.48) ALOX5APSYKHSD11B1
SCHEMBL13262239 0.74 ALOX5AP (0.60) ALOX5APTLR9TLR8TLR7GCK

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 10 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
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 15/4885TLR9 589/4885TLR8 747/4885

“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.