SCHEMBL10134614

SCHEMBL10134614

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.38
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
NLRP3 Q96P20 1/20 0.35
GLA P06280 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 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
SCHEMBL10134603 0.91 MGLL (0.36) MGLLCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6744910 0.91 MEN1 (0.37) MGLLCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL10134612 0.90 ALDH1A1 (0.37) MGLLCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6744725 0.83 KDM4E (0.37) MGLLALDH1A1GAAKDM4E
SCHEMBL12202857 0.82 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1GAAKDM4E
SCHEMBL6744920 0.80 KDM4E (0.32) MGLLCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL10134599 0.80 CYP4F2 (0.38) MGLLCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6796127 0.79 MEN1 (0.37) MGLLCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL10134595 0.79 MGLL (0.36) MGLLCYP4F2CYP4A11ALDH1A1GAA
SCHEMBL6744914 0.79 MEN1 (0.37) MGLLCYP4F2CYP4A11ALDH1A1GAA

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 MGLL 2051/4885CYP4F2 1485/4885CYP4A11 842/4885

“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.