SCHEMBL4531317

SCHEMBL4531317

CNc1ccc(O)c(OC(=O)c2ccc(O)c(O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
XDH P47989 1/20 0.56
TOP1 P11387 2/20 0.46
MAPT P10636 4/20 0.42
SERPINE1 P05121 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTPN1 P18031 2/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B2 P37059 1/20 0.40

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
SCHEMBL9132227 0.83 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL1023894 0.78 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL175036 0.78 CA12 (0.53) CA12CA1CA2CA7CA9
Protocatechuic Acid SCHEMBL4531319 0.76 CA12 (0.68) CA12CA1CA2CA7CA9
SCHEMBL2525246 0.76 SERPINE1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13286773 0.75 SERPINE1 (0.70) CA12CA1CA2CA7CA9
Methyl Protocatechuate SCHEMBL29360855 0.73 CA1 (1.00) CA12CA1CA2CA7CA9
Methyl Protocatechuate SCHEMBL38624 0.73 CA1 (1.00) CA12CA1CA2CA7CA9
SCHEMBL84733 0.72 ARG1 (0.48) CA1CA2TOP1MAPTKDM4E
SCHEMBL3005634 0.71 ESR1 (0.57) CA12CA1CA2CA7CA9

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-20090111863-A1 Compounds, Compositions and Methods for the Treatment of Beta-Amyloid Diseases and Synucleinopathies PROTAMED, INC. 2009-04-30 US claimed

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-20090111863-A1 Compounds, Compositions and Methods for the Treatment of Beta-Amyloid Diseases and Synucleinopathies SNCA, PARK7, APP CA12 3773/4885CA1 3723/4885CA2 4294/4885

“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.