SCHEMBL10030964

SCHEMBL10030964

C=CC(=O)OCCOCCOC(C)Oc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 2/20 0.38
TSHR P16473 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN7 P35236 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HPGD P15428 2/20 0.33
HCRTR1 O43613 2/20 0.33

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
SCHEMBL12256654 0.86 KDM4E (0.39) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL15424856 0.84 NPC1 (0.37) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL19881697 0.83 KDM4E (0.37) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL15424859 0.83 NPC1 (0.37) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL10030950 0.83 THRB (0.45) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL31271888 0.82 THRB (0.54) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL11994245 0.82 THRB (0.54) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL20614468 0.82 KDM4E (0.36) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL25374877 0.81 KDM4E (0.35) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL21467252 0.81 KDM4E (0.35) ALDH1A1KDM4EMAPTNPC1RAB9A

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-2199273-B1 Polymerizable photoinitiators and radiation curable compositions AGFA NV (BE) 2018-02-21 EP disclosed
US-8883873-B2 Polymerizable polymeric photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2014-11-11 US disclosed
US-8883873-B2 Polymerizable polymeric photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2014-11-11 US disclosed
US-8492452-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-07-23 US disclosed
US-8492452-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-07-23 US disclosed
US-20120046376-A1 POLYMERIZABLE POLYMERIC PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-02-23 US disclosed
US-20120046376-A1 POLYMERIZABLE POLYMERIC PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2012-02-23 US disclosed
US-20110224324-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-09-15 US disclosed
US-20110224324-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-09-15 US disclosed
WO-2010133381-A1 POLYMERIZABLE POLYMERIC PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-11-25 WO disclosed
EP-2199273-A1 Polymerizable photoinitiators and radiation curable compositions AGFA Graphics NV (BE) 2010-06-23 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 (1 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-20110224324-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS WEE1, ZYX, MTR ALDH1A1 632/4885KDM4E 1491/4885MAPT 1362/4885

“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.