SCHEMBL2995111

SCHEMBL2995111

COC(=O)c1ccc(-c2ccc(C(C)(c3ccc(OCc4nccs4)cc3)C(C)C)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.43
ACACB O00763 1/20 0.42
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 2/20 0.34
HSP90AA1 P07900 1/20 0.34
SYK P43405 1/20 0.34
DGAT1 O75907 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL2989839 0.83 ACACB (0.48) ACACBNPC1RAB9AMAPTSYK
SCHEMBL3002131 0.83 ALOX5AP (0.59) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL3000902 0.83 ALOX5AP (0.43) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL3001625 0.83 ALOX5AP (0.64) ALOX5APNPC1RAB9AMAPT
SCHEMBL2995516 0.82 ACACB (0.41) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL2999090 0.81 ALOX5AP (0.48) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL2993269 0.77 NR4A2 (0.49) ACACBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL707622 0.76 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL709308 0.76 ALOX5AP (0.63) ALOX5APACACBMMP9MMP13ADAM17
SCHEMBL480396 0.76 ALOX5AP (0.77) ALOX5AP

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 4 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
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 15/4885ACACB 1284/4885MMP9 793/4885

“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.