SCHEMBL2474129

SCHEMBL2474129

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 3/20 0.42
TSHR P16473 1/20 0.39
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CYP3A4 P08684 4/20 0.35
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MGLL Q99685 4/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL2672423 0.88 PAM (0.39) MGLLTDP1
SCHEMBL2672425 0.88 PAM (0.39) MGLLTDP1
SCHEMBL2672426 0.88 PAM (0.39) MGLLTDP1
SCHEMBL6742848 0.87 PPARG (0.40) MGLLALDH1A1
SCHEMBL13263804 0.86 CYSLTR2 (0.39) MGLL
SCHEMBL6743535 0.86 CYSLTR2 (0.39) MGLL
SCHEMBL2478868 0.84 MGLL (0.44) CYP2C19CYP2C9THRBHSD17B10MGLL
SCHEMBL5631372 0.84 MGLL (0.44) CYP2C19CYP2C9THRBHSD17B10MGLL
SCHEMBL2673178 0.82 CYSLTR2 (0.43) MGLLTDP1
SCHEMBL2673179 0.82 CYSLTR2 (0.43) MGLLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
EP-2374788-B1 INDANYL COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2013-04-03 EP disclosed
US-8183272-B2 Indanyl compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-22 US disclosed
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-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-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
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
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 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 (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 CYP2C19 436/4885CYP2C9 534/4885TSHR 314/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CYP2C19 284/4885CYP2C9 405/4885TSHR 603/4885

“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.