SCHEMBL6742409

SCHEMBL6742409

CCC[C@@H](OCC1CO1)c1ccc(Cl)cc1/C=C/C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
ESR1 P03372 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX3 P56373 2/20 0.34
TTR P02766 1/20 0.34
DPP4 P27487 1/20 0.34
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 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR1 O14842 1/20 0.33
ENPP2 Q13822 2/20 0.33

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
SCHEMBL10132756 1.00 MGLL (0.38) MGLLESR1MAPTALDH1A1P2RX3
SCHEMBL10132748 0.93 ESR1 (0.39) MGLLESR1MAPTALDH1A1P2RX3
SCHEMBL6741720 0.93 ESR1 (0.39) MGLLESR1MAPTALDH1A1P2RX3
SCHEMBL6742127 0.92 MGLL (0.39) MGLLESR1MAPTALDH1A1P2RX3
SCHEMBL6741889 0.90 MGLL (0.39) MGLLESR1MAPTTTRDPP4
SCHEMBL10132727 0.90 MGLL (0.39) MGLLESR1MAPTTTRDPP4
SCHEMBL12203930 0.90 TBXA2R (0.35) MGLLESR1MAPTALDH1A1FFAR1
SCHEMBL13263924 0.90 MGLL (0.39) MGLLESR1MAPTTTRDPP4
SCHEMBL12202237 0.88 MGLL (0.38) MGLLESR1TTRDPP4CA12
SCHEMBL10166265 0.88 MGLL (0.40) MGLLESR1MAPTALDH1A1P2RX3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
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-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 (1 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-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR MGLL 2501/4885ESR1 423/4885MAPT 1359/4885

“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.