SCHEMBL6744908

SCHEMBL6744908

CCOC(=O)CCc1cc(Cl)ccc1[C@@H](CC)OC[C@H]1CO1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
MGLL Q99685 2/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
FFAR1 O14842 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL13265178 0.92 CYP4F2 (0.36) CYP4F2CYP4A11ALDH1A1GAATSHR
SCHEMBL6745211 0.92 CYP4F2 (0.36) CYP4F2CYP4A11ALDH1A1GAATSHR
SCHEMBL10151162 0.92 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1GAAMGLL
SCHEMBL6745521 0.92 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1GAAMGLL
SCHEMBL10134599 0.90 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1GAAMGLL
SCHEMBL2476417 0.89 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1GAATSHR
SCHEMBL2476415 0.89 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1GAATSHR
SCHEMBL6744520 0.84 CYP4F2 (0.36) CYP4F2CYP4A11ALDH1A1GAAMGLL
SCHEMBL6745216 0.83 CYP4F2 (0.36) CYP4F2CYP4A11ALDH1A1GAAMGLL
SCHEMBL6799092 0.82 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1GAAMGLL

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 9 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-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

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 CYP4F2 1485/4885CYP4A11 842/4885ALDH1A1 2584/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR CYP4F2 868/4885CYP4A11 403/4885ALDH1A1 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.