SCHEMBL755274

SCHEMBL755274

CCOC(=O)/C(O)=C/c1nccc(OCc2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 1/20 0.44
ALKBH1 Q13686 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRMT5 O14744 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
GRM4 Q14833 1/20 0.39
HSP90AA1 P07900 1/20 0.39
FFAR1 O14842 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38
MMP13 P45452 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
PPIA P62937 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37

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
SCHEMBL755275 1.00 NR1H4 (0.49) NR1H4ALDH1A1ALKBH1MEN1KMT2A
SCHEMBL754203 0.90 MAPT (0.42) NR1H4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL754204 0.90 MAPT (0.42) NR1H4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL13754872 0.82 NR1H4 (0.50) NR1H4ALDH1A1MEN1KMT2APRMT5
SCHEMBL16921585 0.77 GRM4 (0.39) NR1H4ALDH1A1MEN1KMT2APRMT5
SCHEMBL13754870 0.77 NR1H4 (0.47) NR1H4ALDH1A1MEN1KMT2APRMT5
SCHEMBL755251 0.76 NR1H4 (0.49) NR1H4ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL1564241 0.76 NR1H4 (0.55) NR1H4ALDH1A1MEN1KMT2APRMT5
SCHEMBL13754874 0.76 NR1H4 (0.55) NR1H4ALDH1A1MEN1KMT2APRMT5
SCHEMBL755250 0.76 NR1H4 (0.49) NR1H4ALDH1A1MEN1KMT2AL3MBTL1

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 17 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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US 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
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 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
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 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-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 NR1H4 1608/4885ALDH1A1 658/4885ALKBH1 163/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR1H4 1466/4885ALDH1A1 424/4885ALKBH1 143/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NR1H4 1466/4885ALDH1A1 424/4885ALKBH1 143/4885

“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.