SCHEMBL10134612

SCHEMBL10134612

CCOC(=O)CCc1c(OC)cccc1[C@@H](CC)OC[C@H]1CO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 1/20 0.35
MGLL Q99685 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
CTDSP1 Q9GZU7 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GLA P06280 1/20 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
SCHEMBL10134614 0.90 MGLL (0.38) ALDH1A1KDM4EHPGDHSD17B10MGLL
SCHEMBL10134603 0.87 MGLL (0.36) ALDH1A1KDM4EHPGDPOLBMGLL
SCHEMBL6744910 0.87 MEN1 (0.37) ALDH1A1KDM4EHPGDPOLBMGLL
SCHEMBL13265179 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL6742571 0.79 CYP1A2 (0.41) ALDH1A1KDM4EHPGDMGLLTDP1
SCHEMBL6744725 0.79 KDM4E (0.37) ALDH1A1KDM4EPOLBMGLLTDP1
SCHEMBL4610155 0.78 ALDH1A1 (0.46) ALDH1A1TDP1GLA
SCHEMBL4610163 0.78 ALDH1A1 (0.46) ALDH1A1TDP1GLA
SCHEMBL6744920 0.77 KDM4E (0.32) ALDH1A1KDM4EHPGDHSD17B10MGLL
SCHEMBL10134601 0.77 CYP4F2 (0.37) ALDH1A1MGLLTDP1CYP4F2CYP4A11

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
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

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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 ALDH1A1 2584/4885KDM4E 3243/4885HPGD 1935/4885

“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.