SCHEMBL6743549

SCHEMBL6743549

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
MGLL Q99685 3/20 0.32
NLRP3 Q96P20 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL13265148 1.00 ALDH1A1 (0.34) ALDH1A1GLAMGLLNLRP3KDM4E
SCHEMBL6742926 0.94 TDP1 (0.35) ALDH1A1MGLLNLRP3KDM4E
SCHEMBL13263803 0.93 MGLL (0.31) ALDH1A1GLAMGLLNLRP3KDM4E
SCHEMBL6742434 0.93 MGLL (0.31) ALDH1A1GLAMGLLNLRP3KDM4E
SCHEMBL10132905 0.91 NLRP3 (0.35) ALDH1A1MGLLNLRP3KDM4E
SCHEMBL6742973 0.91 NLRP3 (0.35) ALDH1A1MGLLNLRP3KDM4E
SCHEMBL10132910 0.89 SMN1; SMN2 (0.34) ALDH1A1MGLLNLRP3KDM4E
SCHEMBL6742301 0.89 SMN1; SMN2 (0.34) ALDH1A1MGLLNLRP3KDM4E
SCHEMBL10132919 0.86 ALDH1A1 (0.36) ALDH1A1GLAHRH3
SCHEMBL2473198 0.85 KDM4E (0.38) ALDH1A1MGLLKDM4E

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 5 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-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
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 ALDH1A1 2138/4885GLA 1682/4885MGLL 2501/4885

“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.