SCHEMBL6743535

SCHEMBL6743535

COC(=O)CCCC/C=C/c1ccccc1[C@@H](C)OC[C@H]1CO1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.39
CYSLTR1 Q9Y271 2/20 0.39
PPARG P37231 2/20 0.38
MGLL Q99685 3/20 0.38
EPHX2 P34913 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
SCHEMBL13263804 1.00 CYSLTR2 (0.39) CYSLTR2CYSLTR1PPARGMGLLEPHX2
SCHEMBL6742848 0.97 PPARG (0.40) CYSLTR2CYSLTR1PPARGMGLL
SCHEMBL2474129 0.86 CYP2C19 (0.42) MGLL
SCHEMBL12202626 0.85 CYSLTR2 (0.36) CYSLTR2CYSLTR1MGLL
SCHEMBL10151098 0.85 CYSLTR2 (0.36) CYSLTR2CYSLTR1MGLL
SCHEMBL2673179 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1MGLL
SCHEMBL2673178 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1MGLL
SCHEMBL2673173 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1MGLL
SCHEMBL6798786 0.83 TDP1 (0.35) CYSLTR2CYSLTR1MGLL
SCHEMBL2473198 0.82 KDM4E (0.38) CYSLTR2CYSLTR1MGLL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
US-20110319359-A1 INDANYL COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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 (2 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 CYSLTR2 305/4885CYSLTR1 266/4885PPARG 1792/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CYSLTR2 182/4885CYSLTR1 158/4885PPARG 854/4885

“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.