SCHEMBL4639440

SCHEMBL4639440

O=C(O[C@@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ABCB1 P08183 12/20 0.55
▸ HSP90AB1 P08238 3/20 0.54
▸ HIF1A Q16665 1/20 0.46
▸ ELAVL3 Q14576 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4639872 1.00 STING1 (0.59) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639446 1.00 STING1 (0.59) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639449 1.00 STING1 (0.59) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639875 1.00 STING1 (0.59) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639562 0.94 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639560 0.94 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4674780 0.94 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4639566 0.94 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4674783 0.94 MEN1 (0.61) STING1MEN1MAPTKMT2AABCB1
SCHEMBL4472833 0.93 STING1 (0.67) STING1MEN1MAPTKMT2AABCB1

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 10 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-20140213802-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-07-31 — — 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
EP-1778663-A4 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME UNIV HONG KONG POLYTECHNIC (CN) 2008-08-06 — — EP disclosed
US-20080176931-A1 e.g. 5,7-Bis(benzyloxy)-2-[3,4,5-tris(benzyloxy)phenyl]chroman-3-yl 3-(benzyloxy)benzoate; antiproliferative, antitumor agent; reducing tumor cell growth; more potent, better bioavailability than catechin THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2008-07-24 — — US disclosed
EP-1778663-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME The Hong Kong Polytechnic University (CN) 2007-05-02 — — EP disclosed
WO-2006017981-A9 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME UNIV HONG KONG POLYTECHNIC (CN) 2006-05-11 — — WO disclosed
WO-2006017981-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2006-02-23 — — 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 (4 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 3254/4885MEN1 3560/4885MAPT 2132/4885
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME PSMC1, PSME1, PSMB1 STING1 3254/4885MEN1 3560/4885MAPT 2132/4885
US-20140213802-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome PSMC1, PSME1, PSMB1 STING1 3254/4885MEN1 3560/4885MAPT 2132/4885
US-20080176931-A1 e.g. 5,7-Bis(benzyloxy)-2-[3,4,5-tris(benzyloxy)phenyl]chroman-3-yl 3-(benzyloxy)benzoate; antiproliferative, antitumor agent; reducing tumor cell growth; more potent, better bioavailability than catechin UBE2G2, C9, BAP1 STING1 3187/4885MEN1 3996/4885MAPT 3872/4885

“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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