SCHEMBL889574

SCHEMBL889574

CCCO[C@H]1OC(CO)C(O)(O)[C@H](O)C1O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA9 Q16790 4/20 0.33
MAPK1 P28482 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
SCHEMBL889674 0.84 LGALS8 (0.35)
SCHEMBL24974809 0.75 L3MBTL1 (0.36)
SCHEMBL22227380 0.75 CA1 (0.32) CA1CA2CA9
SCHEMBL5523046 0.75 CA1 (0.32) CA1CA2CA9MAPK1
SCHEMBL14690760 0.70 GAA (0.50) CA1CA2CA9MAPK1
SCHEMBL2039570 0.70 GAA (0.50) CA1CA2CA9MAPK1
SCHEMBL10388472 0.70 GAA (0.50) CA1CA2CA9MAPK1
SCHEMBL14690963 0.70 GAA (0.50) CA1CA2CA9MAPK1
SCHEMBL15352893 0.70 GAA (0.50) CA1CA2CA9MAPK1
SCHEMBL15353156 0.70 GAA (0.50) CA1CA2CA9MAPK1

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-20120009260-A1 NANOPARTICLE FILM DELIVERY SYSTEMS AQUESTIVE THERAPEUTICS, INC. 2012-01-12 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-20120009260-A1 NANOPARTICLE FILM DELIVERY SYSTEMS CD63, DSTN, EPCAM CA1 3159/4885CA2 3865/4885CA9 1846/4885

“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.