SCHEMBL9100087

SCHEMBL9100087

O=C(O[C@@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)c(Cc3ccccc3)c2O[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 2/20 0.51
▸ ABCB1 P08183 5/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MMP2 P08253 4/20 0.38
▸ MMP14 P50281 3/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ BACE1 P56817 2/20 0.37
▸ BCL2 P10415 2/20 0.37
▸ PSMB5 P28074 2/20 0.37
▸ SNCA P37840 2/20 0.37
▸ PGD P52209 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ APP P05067 1/20 0.37
▸ SYNJ2 O15056 1/20 0.37
▸ ADAMTS4 O75173 1/20 0.37
▸ SLCO2B1 O94956 1/20 0.37
▸ MET P08581 1/20 0.37

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
SCHEMBL9106612 1.00 STING1 (0.51) STING1ABCB1MEN1MAPTKMT2A
SCHEMBL9106609 1.00 STING1 (0.51) STING1ABCB1MEN1MAPTKMT2A
SCHEMBL9100097 1.00 STING1 (0.51) STING1ABCB1MEN1MAPTKMT2A
SCHEMBL9100105 1.00 STING1 (0.51) STING1ABCB1MEN1MAPTKMT2A
SCHEMBL9104116 0.80 CYP3A4 (0.46) MEN1MAPTKMT2APKMBACE1
SCHEMBL9103638 0.80 CYP3A4 (0.46) MEN1MAPTKMT2APKMBACE1
SCHEMBL24983694 0.78 STING1 (0.68) STING1ABCB1MEN1MAPTKMT2A
SCHEMBL30141038 0.78 STING1 (0.68) STING1ABCB1MEN1MAPTKMT2A
SCHEMBL24984282 0.77 STING1 (0.74) STING1ABCB1MEN1MAPTKMT2A
SCHEMBL24983847 0.77 STING1 (0.66) STING1ABCB1MEN1MAPTKMT2A

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 5 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-9169230-B2 (−)-Epigallocatechin gallate derivatives for inhibiting proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2015-10-27 — — 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 STING1 3254/4885ABCB1 2548/4885MEN1 3560/4885
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME PSMC1, PSME1, PSMB1 STING1 3254/4885ABCB1 2548/4885MEN1 3560/4885

“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.

Send feedback