SCHEMBL13064873

SCHEMBL13064873

COc1c(O)cc(C(=O)O)c(N)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 4/20 0.42
PTGS2 P35354 2/20 0.41
POLB P06746 1/20 0.40
CYP3A4 P08684 2/20 0.39
CASP7 P55210 2/20 0.39
PKM P14618 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL13064871 0.87 KDM4E (0.49) TPMTTDP1MAPTALDH1A1HSD17B10
SCHEMBL18669122 0.77 KDM4E (0.54) TPMTTDP1MAPTALDH1A1HSD17B10
SCHEMBL30023765 0.77 KDM4E (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL13064872 0.77 KDM4E (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL25378470 0.76 TPMT (0.47) TPMTTDP1MAPTHSD17B10KDM4E
SCHEMBL15269009 0.76 PKM (0.53) TDP1MAPTALDH1A1KDM4EPTGS2
SCHEMBL7321975 0.76 TPMT (0.46) TPMTTDP1MAPTALDH1A1HSD17B10
SCHEMBL419090 0.76 TDP1 (0.50) TPMTTDP1MAPTALDH1A1HSD17B10
SCHEMBL18677528 0.76 TDP1 (0.55) TPMTTDP1MAPTALDH1A1HSD17B10
SCHEMBL670626 0.74 TPMT (0.49) TPMTTDP1MAPTHSD17B10KDM4E

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-20120322717-A9 Compounds and assays for controlling Wnt activity ENZO BIOCHEM, INC. 2012-12-20 US disclosed
US-20100298200-A1 Compounds and assays for controlling Wnt activity LIU DAKAI 2010-11-25 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 (2 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-20120322717-A9 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 TPMT 3617/4885TDP1 4794/4885MAPT 3092/4885
US-20100298200-A1 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 TPMT 3617/4885TDP1 4794/4885MAPT 3092/4885

“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.