SCHEMBL752884

SCHEMBL752884

O=C(O)c1oc2ccccc2c(=O)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
CYP3A4 P08684 6/20 0.65
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPK1 P28482 4/20 0.65
ALOX15 P16050 3/20 0.65
TP53 P04637 3/20 0.65
LMNA P02545 2/20 0.65
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
ABCB1 P08183 1/20 0.65
CALM1 P0DP23 1/20 0.65
AR P10275 1/20 0.65
PKM P14618 1/20 0.65
CYP1B1 Q16678 1/20 0.65
CA9 Q16790 1/20 0.65
HSD17B10 Q99714 5/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57

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
SCHEMBL647309 0.87 KMT2A (0.51) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL29502948 0.87 KMT2A (0.51) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL11492748 0.85 MAPT (0.62) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL30224972 0.84 CYP3A4 (0.54) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL11360558 0.82 KDM4E (0.53) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL7092243 0.81 MAOA (0.52) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL29587413 0.81 TTR (0.52) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL6045428 0.81 TTR (0.52) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL15820937 0.79 TTR (0.50) KDM4ECYP3A4MEN1KMT2AMAPK1
SCHEMBL29591307 0.79 CA1 (0.61) KDM4ECYP3A4MEN1KMT2AMAPK1

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-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
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0129906-A1 Phenoxyalkoxy-3,4-dihydro-2H-1-benzopyran derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-01-02 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 336/4885CYP3A4 475/4885MEN1 4766/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885CYP3A4 481/4885MEN1 4775/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI KDM4E 382/4885CYP3A4 481/4885MEN1 4775/4885

“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.