SCHEMBL6741194

SCHEMBL6741194

CCOC(=O)/C=C/c1c([C@@H](C)OC[C@H]2CO2)ccc(C)c1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
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
TTR P02766 1/20 0.34
DPP4 P27487 1/20 0.34
ESR1 P03372 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP3A4 P08684 1/20 0.33
CNKSR1 Q969H4 1/20 0.32
MAOB P27338 1/20 0.32
PKM P14618 1/20 0.32
EPAS1 Q99814 1/20 0.32
PTGS2 P35354 1/20 0.31
MLYCD O95822 1/20 0.31
POLB P06746 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
SCHEMBL10151073 1.00 MGLL (0.39) MGLLCA12CA1CA2CA7
SCHEMBL6741265 0.89 MGLL (0.39) MGLLCA12CA1CA2CA7
SCHEMBL6797716 0.89 MGLL (0.39) MGLLCA12CA1CA2CA7
SCHEMBL2480029 0.87 MGLL (0.41) MGLLCA12CA1CA2CA7
SCHEMBL10164616 0.87 MGLL (0.41) MGLLCA12CA1CA2CA7
SCHEMBL10151059 0.85 MGLL (0.41) MGLLCA12CA1CA2CA7
SCHEMBL2477015 0.85 MGLL (0.41) MGLLCA12CA1CA2CA7
SCHEMBL10164599 0.85 MGLL (0.43) MGLLCA12CA1CA2CA7
SCHEMBL2473950 0.85 MGLL (0.43) MGLLCA12CA1CA2CA7
SCHEMBL6742430 0.82 MGLL (0.41) MGLLCA12CA1CA2CA7

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-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
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374794-A1 CYCLIC AMINE 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 MGLL 2051/4885CA12 1724/4885CA1 748/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885CA12 3203/4885CA1 1252/4885

“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.