SCHEMBL10030962

SCHEMBL10030962

C=COCC(COC=C)OC(=O)C=C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL18116361 0.92 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL33527815 0.88 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18116369 0.88 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL13383386 0.83 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL700993 0.80 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2456569 0.79 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29466118 0.76 TSHR (0.37) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2606274 0.76 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14173057 0.76 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28584448 0.75 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4

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
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
WO-2010069758-A1 POLYMERIZABLE PHOTOINITIATORS AND RADIATION CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2010-06-24 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 TSHR 3503/4885ALDH1A1 632/4885TP53 791/4885

“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.