SCHEMBL764323

SCHEMBL764323

CC1(C)COC(c2ccco2)=N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL16475554 0.79 LMNA (0.39) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL28242793 0.73 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL29616919 0.73 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL18380643 0.73 KDM4E (0.61) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL471858 0.72 KDM4E (0.60) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL342910 0.72 KDM4E (0.59) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL8855987 0.70 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDLMNA
Hydrochloric Acid SCHEMBL11553058 0.70 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL471881 0.70 KDM4E (0.62) KDM4EMAPTHPGDLMNANPC1
SCHEMBL8855999 0.70 KDM4E (1.00) KDM4EALDH1A1MAPTHPGDLMNA

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 13 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

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-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885POLB 107/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885ALDH1A1 424/4885POLB 107/4885

“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.