SCHEMBL2293712

SCHEMBL2293712

O=C(O)CCOc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
ACSL1 P33121 2/20 0.53
ACSL6 Q9UKU0 2/20 0.53
CYP1A2 P05177 1/20 0.48
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
MAOA P21397 6/20 0.45
MAOB P27338 6/20 0.45
PLA2G4A P47712 1/20 0.43
TSHR P16473 1/20 0.43
PDK2 Q15119 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL10932212 0.94 ACSL1 (0.58) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL17294494 0.91 ACSL1 (0.64) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL30267109 0.86 KDM4E (0.61) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL112717 0.86 KDM4E (0.61) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL29689340 0.86 KDM4E (0.61) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL7933557 0.85 KDM4E (0.62) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL24949252 0.83 KDM4E (0.57) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL14209211 0.83 KDM4E (0.57) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL1505814 0.82 MAPT (0.67) KDM4EL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL1469810 0.82 KDM4E (0.62) KDM4EL3MBTL1NPC1ALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530510-B2 Polymerizable photoinitiators and radiation curable compositions AGFA GRAPHICS NV (BE) 2013-09-10 US disclosed
US-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-08-11 US 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-20110195198-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS RAD52, CCNH, TOP2B KDM4E 1114/4885L3MBTL1 2767/4885NPC1 4235/4885

“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.