SCHEMBL6742926

SCHEMBL6742926

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MGLL Q99685 2/20 0.32
NLRP3 Q96P20 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 0.94 ALDH1A1 (0.34) ALDH1A1KDM4EMGLLNLRP3
SCHEMBL6743549 0.94 ALDH1A1 (0.34) ALDH1A1KDM4EMGLLNLRP3
SCHEMBL13263803 0.92 MGLL (0.31) ALDH1A1KDM4EMGLLNLRP3
SCHEMBL6742434 0.92 MGLL (0.31) ALDH1A1KDM4EMGLLNLRP3
SCHEMBL10132905 0.91 NLRP3 (0.35) ALDH1A1KDM4EMGLLNLRP3
SCHEMBL6742973 0.91 NLRP3 (0.35) ALDH1A1KDM4EMGLLNLRP3
SCHEMBL6742301 0.88 SMN1; SMN2 (0.34) ALDH1A1KDM4EKMT2AMGLLNLRP3
SCHEMBL10132910 0.88 SMN1; SMN2 (0.34) ALDH1A1KDM4EKMT2AMGLLNLRP3
SCHEMBL6741139 0.85 CYP1A2 (0.42) TDP1CTDSP1ALDH1A1KDM4EMGLL
SCHEMBL13265318 0.84 KDM4E (0.38) ALDH1A1KDM4EMGLL

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-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
EP-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP 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 TDP1 3917/4885CTDSP1 2050/4885ALDH1A1 2584/4885
US-20110319359-A1 INDANYL COMPOUNDS RYR2, ORAI1, CASR TDP1 4784/4885CTDSP1 4221/4885ALDH1A1 2138/4885

“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.