SCHEMBL6742853

SCHEMBL6742853

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.37
ESR1 P03372 1/20 0.37
CYP3A4 P08684 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALOX5 P09917 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL12202219 1.00 MGLL (0.44) MGLLL3MBTL1ESR1CYP3A4CA12
SCHEMBL6742394 0.92 MGLL (0.46) MGLLL3MBTL1ESR1CYP3A4CA12
SCHEMBL6792944 0.92 MGLL (0.46) MGLLL3MBTL1ESR1CYP3A4CA12
SCHEMBL6741889 0.89 MGLL (0.39) MGLLL3MBTL1ESR1CYP3A4CA12
SCHEMBL10132727 0.89 MGLL (0.39) MGLLL3MBTL1ESR1CYP3A4CA12
SCHEMBL13263924 0.89 MGLL (0.39) MGLLL3MBTL1ESR1CYP3A4CA12
SCHEMBL2480349 0.87 MGLL (0.47) MGLLL3MBTL1ESR1CYP3A4CA12
SCHEMBL10132756 0.87 MGLL (0.38) MGLLESR1CYP3A4CA12CA1
SCHEMBL10132710 0.87 ESR1 (0.39) MGLLESR1CYP3A4CA12CA1
SCHEMBL12202237 0.87 MGLL (0.38) MGLLL3MBTL1ESR1CYP3A4CA12

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 8 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

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 MGLL 2051/4885L3MBTL1 4719/4885ESR1 553/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885L3MBTL1 4401/4885ESR1 423/4885

“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.