SCHEMBL140455

SCHEMBL140455

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HTT P42858 1/20 0.31

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
SCHEMBL138723 0.89 HTT (0.34) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL20446047 0.83 MAPK1 (0.31) MAPK1HIF1AHTT
SCHEMBL719638 0.83 THRB (0.38) MAPK1HIF1AHTT
SCHEMBL11365400 0.82 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL13917721 0.81 SERPINE1 (0.31) HTT
SCHEMBL5597509 0.79
SCHEMBL2138230 0.78 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL9297828 0.78 ALDH1A1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL11363390 0.77 ALDH1A1 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL26832067 0.77 ALDH1A1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059173-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2012-03-08 US disclosed
EP-2147042-A1 DENDRITIC MOLECULES The University Of Queensland (AU) 2010-01-27 EP disclosed
WO-2008141357-A1 DENDRITIC MOLECULES THE UNIVERSITY OF QUEENSLAND (AU) 2008-11-27 WO 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-20120059173-A1 DENDRITIC MOLECULES CD40LG, CD40, TLR3 ALDH1A1 3696/4885TP53 2178/4885CYP3A4 4516/4885

“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.