SCHEMBL752857

SCHEMBL752857

O=C(/C=C/c1ccccn1)c1cc(OCc2ccccc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.62
CYSLTR1 Q9Y271 2/20 0.62
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
HSP90AA1 P07900 2/20 0.61
ALDH1A1 P00352 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
APP P05067 1/20 0.54
SLC5A1 P13866 1/20 0.52
SLC5A2 P31639 1/20 0.52
MCL1 Q07820 1/20 0.50
MAOB P27338 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48

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
SCHEMBL752858 1.00 CYSLTR2 (0.62) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL17907495 0.94 CYSLTR2 (0.56) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL17907496 0.94 CYSLTR2 (0.56) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL751930 0.91 KDM4E (0.57) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL751929 0.91 KDM4E (0.57) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL2840222 0.89 KDM4E (0.59) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL2840220 0.89 KDM4E (0.59) CYSLTR2CYSLTR1KDM4EMAPTHSP90AA1
SCHEMBL17975277 0.83 MAPT (0.67) KDM4EMAPTHSP90AA1ALDH1A1NPSR1
SCHEMBL7508691 0.82 CYSLTR2 (0.55) CYSLTR2CYSLTR1KDM4EALDH1A1APP
SCHEMBL7508687 0.82 CYSLTR2 (0.55) CYSLTR2CYSLTR1KDM4EALDH1A1APP

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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 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 (3 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CYSLTR2 3946/4885CYSLTR1 3127/4885KDM4E 336/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYSLTR2 4226/4885CYSLTR1 3571/4885KDM4E 382/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CYSLTR2 4226/4885CYSLTR1 3571/4885KDM4E 382/4885

“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.