SCHEMBL6742565

SCHEMBL6742565

CCOC(=O)/C=C/c1cc(F)c(F)cc1[C@@H](CC)OCC1CO1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
CYP3A4 P08684 3/20 0.37
ESR1 P03372 2/20 0.36
PKM P14618 1/20 0.36
DPP4 P27487 2/20 0.36
TTR P02766 1/20 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
CNKSR1 Q969H4 1/20 0.33
MAOB P27338 1/20 0.33
P2RX3 P56373 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 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
SCHEMBL10132851 1.00 MGLL (0.39) MGLLCYP3A4ESR1PKMDPP4
SCHEMBL6743056 0.96 MGLL (0.38) MGLLCYP3A4ESR1PKMDPP4
SCHEMBL6742694 0.89 MGLL (0.39) MGLLCYP3A4ESR1PKMDPP4
SCHEMBL6742026 0.89 MGLL (0.41) MGLLCYP3A4ESR1PKMDPP4
SCHEMBL10166275 0.87 MGLL (0.40) MGLLCYP3A4ESR1DPP4TTR
SCHEMBL6742553 0.87 MGLL (0.40) MGLLCYP3A4ESR1DPP4TTR
SCHEMBL6742116 0.86 MGLL (0.38) MGLLESR1DPP4TTRCA12
SCHEMBL10132703 0.86 MGLL (0.36) MGLLCYP3A4ESR1PKMDPP4
SCHEMBL6741624 0.86 MGLL (0.36) MGLLCYP3A4ESR1PKMDPP4
SCHEMBL6742394 0.86 MGLL (0.46) MGLLCYP3A4ESR1DPP4TTR

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 7 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-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
WO-2010074089-A1 INDANYL COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO 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 2051/4885CYP3A4 792/4885ESR1 553/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885CYP3A4 373/4885ESR1 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.