SCHEMBL16077680

SCHEMBL16077680

O=C(O)c1cc(O)c(O)c(CO)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
CA7 P43166 4/20 0.64
CA9 Q16790 4/20 0.64
CA14 Q9ULX7 4/20 0.64
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.64
CA4 P22748 3/20 0.64
CA6 P23280 3/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
CA3 P07451 2/20 0.64
CA5A P35218 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
TP53 P04637 1/20 0.64
SELL P14151 1/20 0.64
HPGD P15428 1/20 0.64
SELP P16109 1/20 0.64

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
SCHEMBL2123786 0.89 ALDH1A1 (0.59) CA12CA1CA2CA7CA9
Gallic Acid SCHEMBL7774087 0.82 KDM4E (0.63) CA12CA1CA2CA7CA9
Gallic Acid SCHEMBL3515851 0.80 KDM4E (0.81) CA12CA1CA2CA7CA9
Gallic Acid SCHEMBL4599569 0.80 KDM4E (0.81) CA12CA1CA2CA7CA9
SCHEMBL16077698 0.80 TTR (0.67) CA12CA1CA2CA7CA9
SCHEMBL4365225 0.80 SHBG (0.53) CA12CA1CA2CA7CA9
Gallic Acid SCHEMBL1845406 0.79 CA12 (1.00) CA12CA1CA2CA7CA9
Gallic Acid SCHEMBL678990 0.79 CA12 (1.00) CA12CA1CA2CA7CA9
Gallic Acid SCHEMBL8088102 0.79 CA12 (1.00) CA12CA1CA2CA7CA9
Gallic Acid SCHEMBL4918056 0.79 CA12 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 CA12 4808/4885CA1 3936/4885CA2 1912/4885

“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.