SCHEMBL13799334

SCHEMBL13799334

COC(=O)c1ccc(C(=O)c2cc(O)c(O)c(O)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.71
TDP1 Q9NUW8 2/20 0.71
KDM4E B2RXH2 2/20 0.71
LMNA P02545 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
POLB P06746 1/20 0.71
GAA P10253 1/20 0.71
NFKB1 P19838 1/20 0.71
GFER P55789 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
FUT7 Q11130 1/20 0.71
CA1 P00915 5/20 0.61
CA2 P00918 5/20 0.61
CA12 O43570 4/20 0.61
CA9 Q16790 4/20 0.61
CA14 Q9ULX7 4/20 0.61
CA7 P43166 3/20 0.61
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50

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
Gallic Acid Methyl Ester SCHEMBL39513 0.84 KDM4E (1.00) XDHTDP1KDM4ELMNAL3MBTL1
SCHEMBL2337244 0.84 CA1 (0.70) XDHTDP1LMNAL3MBTL1CA1
SCHEMBL12948036 0.82 GAA (0.67) XDHTDP1KDM4ELMNAL3MBTL1
Gallic Acid Methyl Ester SCHEMBL28507408 0.82 KDM4E (0.95) XDHTDP1KDM4ELMNAL3MBTL1
Gallic Acid Methyl Ester SCHEMBL21611341 0.82 KDM4E (0.95) XDHTDP1KDM4ELMNAL3MBTL1
Gallic Acid Methyl Ester SCHEMBL21543905 0.82 KDM4E (0.95) XDHTDP1KDM4ELMNAL3MBTL1
Gallic Acid Methyl Ester SCHEMBL28556619 0.82 KDM4E (0.95) XDHTDP1KDM4ELMNAL3MBTL1
Gallic Acid SCHEMBL23924977 0.81 CA1 (0.67) XDHTDP1KDM4ELMNAL3MBTL1
SCHEMBL3468564 0.81 CA1 (0.56) XDHTDP1KDM4ELMNAL3MBTL1
SCHEMBL3467966 0.80 CA1 (0.87) XDHTDP1LMNAGAACA1

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-20090176995-A1 Soluble fullerene derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2009-07-09 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-20090176995-A1 Soluble fullerene derivatives SOD1, EPCAM, NDUFV2 XDH 2084/4885TDP1 1550/4885KDM4E 3604/4885

“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.