SCHEMBL419090

SCHEMBL419090

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
PTGS2 P35354 1/20 0.48
TPMT P51580 5/20 0.46
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
PKM P14618 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
SELL P14151 2/20 0.42
SELP P16109 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL18677528 0.84 TDP1 (0.55) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL9716404 0.81 TDP1 (0.47) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL28151802 0.79 HSD17B10 (0.45) HSD17B10MAPTKDM4EALDH1A1HPGD
SCHEMBL25378470 0.77 TPMT (0.47) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL15524402 0.77 MAPT (0.47) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL619429 0.77 TPMT (0.47) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL1438720 0.76 TDP1 (0.59) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL31058988 0.76 TDP1 (0.61) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL13064873 0.76 TPMT (0.46) TDP1HSD17B10MAPTPTGS2TPMT
SCHEMBL670626 0.74 TPMT (0.49) TDP1HSD17B10MAPTPTGS2TPMT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611453-B1 ANTIFUNGAL COMPOSITION COMVITA NEW ZEALAND LTD (NZ) 2021-08-18 EP disclosed
US-20130273020-A1 ANTIFUNGAL COMPOSITION COMVITA NEW ZEALAND LIMITED (NZ) 2013-10-17 US disclosed
US-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS COMVITA NEW ZEALAND LIMITED (NZ) 2012-01-26 US disclosed
US-20110287059-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2011-11-24 US disclosed
EP-2367444-A1 MEDICAL AND NUTRITIONAL FORMULATIONS Comvita New Zealand Limited (NZ) 2011-09-28 EP disclosed
EP-2368111-A1 HONEY ANALYSIS Comvita New Zealand Limited (NZ) 2011-09-28 EP disclosed
WO-2010082844-A1 PLANT MANIPULATION COMVITA NEW ZEALAND LIMITED (NZ) 2010-07-22 WO disclosed
WO-2010082845-A1 HONEY ANALYSIS COMVITA NEW ZEALAND LIMITED (NZ) 2010-07-22 WO disclosed
WO-2010082846-A1 MEDICAL AND NUTRITIONAL FORMULATIONS COMVITA NEW ZEALAND LIMITED (NZ) 2010-07-22 WO 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-20120021061-A1 MEDICAL AND NUTRITIONAL FORMULATIONS FABP6, NNT, IAPP TDP1 4823/4885HSD17B10 875/4885MAPT 2491/4885
US-20110287059-A1 HONEY ANALYSIS GLO1, GLMN, AGER TDP1 4229/4885HSD17B10 1263/4885MAPT 3311/4885

“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.