SCHEMBL752463

SCHEMBL752463

O=C(O)c1oc2cccc(OCc3ccccc3)c2c(=O)c1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.69
MAOB P27338 2/20 0.52
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
PPARG P37231 1/20 0.47
ABCG2 Q9UNQ0 3/20 0.47
ABCB1 P08183 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
GPR35 Q9HC97 1/20 0.43
FOLH1 Q04609 1/20 0.42
PTGER1 P34995 2/20 0.41
SRD5A2 P31213 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL752207 0.83 EDNRA (0.52) EDNRAABCG2LMNAMAPT
SCHEMBL752461 0.82 EDNRA (0.53) EDNRAMAOBBCHEACHEABCG2
Hydrochloric Acid SCHEMBL754760 0.82 EDNRA (0.51) EDNRAABCG2LMNAMAPT
SCHEMBL1483627 0.82 PPARG (0.67) EDNRAMAOBBCHEACHEPPARG
SCHEMBL29502918 0.78 EDNRA (0.56) EDNRAL3MBTL1
SCHEMBL18702961 0.78 EDNRA (0.56) EDNRAL3MBTL1
SCHEMBL16151329 0.78 PPARG (0.62) EDNRAMAOBBCHEACHEPPARG
SCHEMBL752462 0.77 POLB (0.51) EDNRAMAOBABCG2SRD5A2L3MBTL1
SCHEMBL2809200 0.77 EDNRA (0.52) EDNRAMAOBTDP1LMNASRD5A2
SCHEMBL27651725 0.77 MEN1 (0.60) EDNRAMAOBBCHEACHEPPARG

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 EDNRA 3649/4885MAOB 709/4885BCHE 2050/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI EDNRA 3030/4885MAOB 900/4885BCHE 1478/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI EDNRA 3030/4885MAOB 900/4885BCHE 1478/4885

“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.