SCHEMBL6797698

SCHEMBL6797698

CCOC(=O)/C=C/c1ccc(F)c(F)c1C(C)OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
ESR1 P03372 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PKM P14618 1/20 0.35
P2RX3 P56373 1/20 0.34
CYP3A4 P08684 2/20 0.34
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6742289 1.00 MGLL (0.39) MGLLESR1CA12CA1CA2
SCHEMBL14824585 0.88 MGLL (0.41) MGLLESR1CA12CA1CA2
SCHEMBL6742910 0.88 MGLL (0.41) MGLLESR1CA12CA1CA2
SCHEMBL6742922 0.84 MGLL (0.43) MGLLESR1CA12CA1CA2
SCHEMBL12203829 0.84 MGLL (0.43) MGLLESR1CA12CA1CA2
SCHEMBL6742026 0.83 MGLL (0.41) MGLLESR1CA12CA1CA2
SCHEMBL10151059 0.82 MGLL (0.41) MGLLESR1CA12CA1CA2
SCHEMBL2477015 0.82 MGLL (0.41) MGLLESR1CA12CA1CA2
SCHEMBL17226927 0.82 MGLL (0.41) MGLLESR1CA12CA1CA2
SCHEMBL2478850 0.82 MGLL (0.41) MGLLESR1CA12CA1CA2

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-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-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

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 2051/4885ESR1 553/4885CA12 1724/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885ESR1 423/4885CA12 3203/4885

“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.