SCHEMBL13780362

SCHEMBL13780362

CC(CO)(CO)C(=O)OCC(C)(CO)C(=O)OCC(CO)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
PRKCA P17252 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
SCHEMBL11967441 0.94 MAPK1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL10030763 0.92 MAPK1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL12869611 0.91 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL30634536 0.90 ALDH1A1 (0.42) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19530335 0.89 THRB (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL17531345 0.89 THRB (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19624727 0.89 THRB (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL12938546 0.87 MAPK1 (0.39) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13714589 0.86 THRB (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL19530334 0.86 THRB (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090184417-A1 POLYOL PHOTOSENSITIZERS, CARRIER GAS UV LASER ABLATION SENSITIZERS, AND OTHER ADDITIVES AND METHODS FOR MAKING AND USING SAME NDSU RESEARCH FOUNDATION 2009-07-23 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-20090184417-A1 POLYOL PHOTOSENSITIZERS, CARRIER GAS UV LASER ABLATION SENSITIZERS, AND OTHER ADDITIVES AND METHODS FOR MAKING AND USING SAME OTC, ODC1, OXGR1 ALDH1A1 2050/4885TP53 858/4885CYP3A4 1822/4885

“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.