SCHEMBL5589033

SCHEMBL5589033

COc1c(O)c(C(=O)O)c(OC)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
KCNA3 P22001 1/20 0.40
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TPMT P51580 4/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL5587878 0.93 KDM4E (0.44) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL1438740 0.85 HSD17B10 (0.52) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL5590326 0.84 KDM4E (0.38) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL678486 0.83 KCNA3 (0.53) KCNA3CYP3A4MEN1HPGDKMT2A
SCHEMBL29141732 0.82 HSD17B10 (0.54) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL5589949 0.81 MGAM (0.40) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL5589066 0.80 KDM4E (0.38) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL5588079 0.78 THRA (0.41) KDM4EALDH1A1HSD17B10
Potassium Ion SCHEMBL29141174 0.77 KCNA3 (0.38) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL5589388 0.77 PLA2G2A (0.43) TDP1MEN1KMT2A

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-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US disclosed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 KDM4E 1868/4885ALDH1A1 2181/4885HSD17B10 1640/4885

“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.