SCHEMBL6742667

SCHEMBL6742667

CCOC(=O)/C=C/c1c(F)cccc1[C@@H](CC)OC[C@H]1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CYP3A4 P08684 2/20 0.34
CNKSR1 Q969H4 1/20 0.33
TTR P02766 1/20 0.33
DPP4 P27487 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 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
SCHEMBL6742804 0.93 MGLL (0.42) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6742299 0.92 MGLL (0.39) MGLLSMN1; SMN2L3MBTL1CA12CA1
SCHEMBL10132720 0.92 MGLL (0.39) MGLLSMN1; SMN2L3MBTL1CA12CA1
SCHEMBL13263923 0.92 MGLL (0.39) MGLLSMN1; SMN2L3MBTL1CA12CA1
SCHEMBL10164616 0.89 MGLL (0.41) MGLLSMN1; SMN2L3MBTL1CA12CA1
SCHEMBL2480029 0.89 MGLL (0.41) MGLLSMN1; SMN2L3MBTL1CA12CA1
SCHEMBL6741935 0.88 L3MBTL1 (0.40) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6742571 0.87 CYP1A2 (0.41) MGLLSMN1; SMN2L3MBTL1CA12CA1
SCHEMBL10132703 0.86 MGLL (0.36) MGLLL3MBTL1CA12CA1CA2
SCHEMBL6741624 0.86 MGLL (0.36) MGLLL3MBTL1CA12CA1CA2

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 2051/4885SMN1; SMN2 719/4885L3MBTL1 4719/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885SMN1; SMN2 1932/4885L3MBTL1 4401/4885

“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.