SCHEMBL4328170

SCHEMBL4328170

C=CC(=O)OCCCOC(=O)C(C)=CC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.59
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 2/20 0.59
HPGD P15428 1/20 0.58
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 3/20 0.41
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 3/20 0.34
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL5325148 0.96 TSHR (0.64) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL25431935 0.92 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL28458416 0.87 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL22325553 0.87 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9875480 0.87 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9636788 0.85 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL3610833 0.84 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL9155824 0.84 TSHR (0.74) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL731737 0.83 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10456655 0.82 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130817-B1 Polymerizable Type II photoinitiators and curable compositions AGFA GRAPHICS NV (BE) 2016-01-06 EP disclosed
US-8389769-B2 Polymerizable type II photoinitiators and curable compositions AGFA GRAPHICS NV (BE) 2013-03-05 US disclosed
US-20110063388-A1 POLYMERIZABLE TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-03-17 US disclosed
WO-2009147057-A1 POLYMERIZABLE TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-10 WO disclosed
EP-2130817-A1 Polymerizable Type II photoinitiators and curable compositions AGFA Graphics NV (BE) 2009-12-09 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-20110063388-A1 POLYMERIZABLE TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS CCNH, CRKL, ERH TSHR 2470/4885ALDH1A1 1584/4885CYP3A4 2442/4885

“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.