SCHEMBL4284050

SCHEMBL4284050

CCOC(=O)CCN(CC)CCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
CYP1A2 P05177 2/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
APOBEC3A P31941 1/20 0.38

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
SCHEMBL64362 0.92 ALDH1A1 (0.46) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL64281 0.92 ALDH1A1 (0.46) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL21513122 0.90 ALDH1A1 (0.45) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL9319516 0.88 ALDH1A1 (0.50) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
Hydrochloric Acid SCHEMBL11582693 0.86 ALDH1A1 (0.48) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL22261569 0.84 ALDH1A1 (0.46) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL66021 0.83 ALDH1A1 (0.54) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL9832786 0.82 CA12 (0.48) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL3829435 0.82 GAA (0.52) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2
SCHEMBL2001291 0.81 ALDH1A1 (0.52) ALDH1A1TRPA1CYP4F2CYP4A11CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362101-B2 Multifunctional type II photoinitiators and curable compositions AGFA GRAPHICS NV (BE) 2013-01-29 US disclosed
US-8362101-B2 Multifunctional type II photoinitiators and curable compositions AGFA GRAPHICS NV (BE) 2013-01-29 US disclosed
US-20110069130-A1 MULTIFUNCTIONAL TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-03-24 US disclosed
US-20110069130-A1 MULTIFUNCTIONAL TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2011-03-24 US disclosed
WO-2009147054-A1 MULTIFUNCTIONAL TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS AGFA GRAPHICS NV (BE) 2009-12-10 WO disclosed
EP-2130818-A1 Multifunctional 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-20110069130-A1 MULTIFUNCTIONAL TYPE II PHOTOINITIATORS AND CURABLE COMPOSITIONS CRKL, CYTH2, CCNH ALDH1A1 1579/4885TRPA1 3077/4885CYP4F2 1879/4885

“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.