SCHEMBL9103638

SCHEMBL9103638

O[C@@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)c(Cc3ccccc3)c2O[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ APP P05067 3/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ PRMT5 O14744 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ BACE1 P56817 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALPL P05186 1/20 0.34

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
SCHEMBL9104116 1.00 CYP3A4 (0.46) CYP3A4MAPTTHRBMAPK1PDE4A
SCHEMBL5265250 0.86 MAPT (0.47) CYP3A4MAPTTHRBMAPK1PDE4A
SCHEMBL9100097 0.80 STING1 (0.51) CYP3A4MAPTAPPBACE1KDM4E
SCHEMBL9100087 0.80 STING1 (0.51) CYP3A4MAPTAPPBACE1KDM4E
SCHEMBL9106609 0.80 STING1 (0.51) CYP3A4MAPTAPPBACE1KDM4E
SCHEMBL9100105 0.80 STING1 (0.51) CYP3A4MAPTAPPBACE1KDM4E
SCHEMBL9106612 0.80 STING1 (0.51) CYP3A4MAPTAPPBACE1KDM4E
SCHEMBL5113999 0.79 PDE4A (0.40) MAPTMAPK1PDE4APDE4BPDE4C
SCHEMBL24983638 0.79 CYP3A4 (0.50) CYP3A4MAPTMAPK1APPHIF1A
SCHEMBL13507373 0.79 CYP3A4 (0.50) CYP3A4MAPTMAPK1APPHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2016-03-10 — — US disclosed
US-8710248-B2 (−)-epigallocatechin gallate derivatives for inhibiting proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-04-29 — — US disclosed
US-20120232135-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2012-09-13 — — US disclosed
US-8193377-B2 (−)-epigallocatechin gallate derivatives for inhibiting proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2012-06-05 — — 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-20120232135-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome PSMC1, PSME1, PSMB1 CYP3A4 3777/4885MAPT 2132/4885THRB 3400/4885
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME PSMC1, PSME1, PSMB1 CYP3A4 3777/4885MAPT 2132/4885THRB 3400/4885

“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.

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