SCHEMBL754676

SCHEMBL754676

COC(=O)c1cnc(C)c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.38
NNMT P40261 1/20 0.38
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL754657 0.84 SMN1; SMN2 (0.40) KDM4EPOLBGAATSHRALDH1A1
SCHEMBL192118 0.84 MAPT (0.40) KDM4EPOLBGAATSHRALDH1A1
SCHEMBL2489464 0.83 KDM4E (0.49) KDM4EPOLBGAAALDH1A1HSD17B10
SCHEMBL3554940 0.83 KDM4E (0.46) KDM4EPOLBGAATSHRALDH1A1
SCHEMBL3554938 0.76 KDM4E (0.47) KDM4EPOLBGAATSHRALDH1A1
SCHEMBL3802244 0.76 AGXT (0.41) KDM4EPOLBGAATSHRALDH1A1
SCHEMBL752435 0.76 HPGD (0.35) KDM4EHPGDKMT2ANNMT
SCHEMBL29198881 0.75 CYP46A1 (0.38) KDM4EGAATSHRALDH1A1GLA
SCHEMBL7850933 0.74 KDM4E (0.47) KDM4EPOLBGAATSHRALDH1A1
SCHEMBL31923 0.74 MAPT (0.43) KDM4EGAATSHRALDH1A1GLA

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 4 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

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 382/4885POLB 107/4885GAA 1442/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885POLB 107/4885GAA 1442/4885

“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.