SCHEMBL12795178

SCHEMBL12795178

C=CC(=O)OCCN(CCOC(=O)C=C)CCOC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
CYP3A4 P08684 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
LMNA P02545 5/20 0.47
NR4A1 P22736 1/20 0.45
GAA P10253 1/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
THRB P10828 1/20 0.39
TSHR P16473 1/20 0.37

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
SCHEMBL279022 0.88 ALDH1A1 (0.53) ALDH1A1L3MBTL1CYP3A4NPSR1CYP1A2
SCHEMBL6872720 0.81 THRB (0.55) ALDH1A1L3MBTL1CYP3A4NPSR1CYP1A2
SCHEMBL16708744 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP3A4NPSR1CYP1A2
SCHEMBL7548467 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1CYP3A4NPSR1CYP1A2
SCHEMBL12380019 0.78 CYP3A4 (0.45) ALDH1A1L3MBTL1CYP3A4NPSR1CYP1A2
SCHEMBL11485979 0.77 CYP3A4 (0.69) ALDH1A1L3MBTL1CYP3A4NPSR1CYP1A2
SCHEMBL1009964 0.77 GAA (0.49) ALDH1A1CYP3A4NPSR1CHRM1GAA
SCHEMBL228020 0.76 THRB (0.62) ALDH1A1L3MBTL1CYP3A4LMNATHRB
SCHEMBL22373631 0.75 THRB (0.51) ALDH1A1L3MBTL1CYP3A4NPSR1CYP1A2
SCHEMBL7115632 0.74 TSHR (0.62) ALDH1A1L3MBTL1CYP3A4LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389769-B2 Polymerizable type II photoinitiators and curable compositions AGFA GRAPHICS NV (BE) 2013-03-05 US 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
US-20110063388-A1 POLYMERIZABLE TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-03-17 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-20110063388-A1 POLYMERIZABLE TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS CCNH, CRKL, ERH ALDH1A1 1584/4885L3MBTL1 1782/4885CYP3A4 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.