SCHEMBL6742973

SCHEMBL6742973

CCOC(=O)CC/C=C/c1c(C)cccc1[C@@H](C)OCC1CO1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.35
MGLL Q99685 4/20 0.34
CXCR5 P32302 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL10132905 1.00 NLRP3 (0.35) NLRP3MGLLCXCR5KDM4EALDH1A1
SCHEMBL6742301 0.93 SMN1; SMN2 (0.34) NLRP3MGLLKDM4EALDH1A1
SCHEMBL10132910 0.93 SMN1; SMN2 (0.34) NLRP3MGLLKDM4EALDH1A1
SCHEMBL6743549 0.91 ALDH1A1 (0.34) NLRP3MGLLKDM4EALDH1A1
SCHEMBL13265148 0.91 ALDH1A1 (0.34) NLRP3MGLLKDM4EALDH1A1
SCHEMBL6742926 0.91 TDP1 (0.35) NLRP3MGLLKDM4EALDH1A1
SCHEMBL13263803 0.90 MGLL (0.31) NLRP3MGLLKDM4EALDH1A1
SCHEMBL6742434 0.90 MGLL (0.31) NLRP3MGLLKDM4EALDH1A1
SCHEMBL13265318 0.88 KDM4E (0.38) MGLLKDM4EALDH1A1
SCHEMBL2473198 0.88 KDM4E (0.38) MGLLKDM4EALDH1A1

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
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
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 NLRP3 585/4885MGLL 2501/4885CXCR5 3257/4885

“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.