SCHEMBL6744920

SCHEMBL6744920

CCOC(=O)CCc1c(F)cc(F)cc1[C@@H](CC)OCC1CO1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.32
HPGD P15428 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
AKR1C3 P42330 1/20 0.32
MAPT P10636 1/20 0.32
MGLL Q99685 3/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL13265176 0.89 KDM4E (0.33) KDM4EHPGDALDH1A1HSD17B10GLA
SCHEMBL10134598 0.89 KDM4E (0.33) KDM4EHPGDALDH1A1HSD17B10GLA
SCHEMBL10134603 0.86 MGLL (0.36) KDM4EHPGDALDH1A1GAAMGLL
SCHEMBL10134601 0.84 CYP4F2 (0.37) ALDH1A1GAAMGLLCYP4F2CYP4A11
SCHEMBL6745216 0.83 CYP4F2 (0.36) ALDH1A1GAAMGLLCYP4F2CYP4A11
SCHEMBL10134614 0.80 MGLL (0.38) KDM4EHPGDALDH1A1HSD17B10GLA
SCHEMBL10132703 0.79 MGLL (0.36) MGLL
SCHEMBL6741624 0.79 MGLL (0.36) MGLL
SCHEMBL6744910 0.78 MEN1 (0.37) KDM4EHPGDALDH1A1GAAMGLL
SCHEMBL10134599 0.77 CYP4F2 (0.38) KDM4EHPGDALDH1A1GAAMGLL

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 11 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
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
WO-2010074089-A1 INDANYL 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 KDM4E 3243/4885HPGD 1935/4885ALDH1A1 2584/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR KDM4E 4236/4885HPGD 1037/4885ALDH1A1 2138/4885

“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.