SCHEMBL754304

SCHEMBL754304

CCOC(=O)c1oc2ccccc2c(=O)c1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.63
AHR P35869 1/20 0.63
PLK1 P53350 1/20 0.60
ALDH1A1 P00352 7/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 4/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 5/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAOB P27338 1/20 0.54
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
USP2 O75604 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL31475455 0.90 KDM4E (0.68) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL8482263 0.90 KDM4E (0.68) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL16925412 0.85 KDM4E (0.57) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL19744020 0.85 KDM4E (0.68) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL754576 0.84 KDM4E (0.56) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL27818818 0.82 KDM4E (0.64) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL5565232 0.82 PLK1 (0.65) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL6964091 0.81 KDM4E (0.71) KDM4EAHRPLK1ALDH1A1HPGD
SCHEMBL6466933 0.81 ABCG2 (0.63) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL30383399 0.81 ALDH1A1 (0.71) KDM4EAHRPLK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed
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
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP 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-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 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 KDM4E 336/4885AHR 1222/4885PLK1 1761/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885AHR 956/4885PLK1 1106/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885AHR 956/4885PLK1 1106/4885

“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.