SCHEMBL5109161

SCHEMBL5109161

CC(=O)Oc1ccc(C(=O)O[C@H]2Cc3c(OC(C)=O)cc(OC(C)=O)cc3O[C@@H]2c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.81
CYP3A4 P08684 1/20 0.81
MAPK1 P28482 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
MAPT P10636 1/20 0.74
ABCB1 P08183 14/20 0.71
STING1 Q86WV6 3/20 0.61
ABCC1 P33527 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49

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
SCHEMBL4671149 1.00 ALDH1A1 (0.81) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL9101407 0.94 ABCB1 (0.73) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL17558551 0.94 ABCB1 (0.73) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL9100381 0.94 ABCB1 (0.73) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL4484371 0.90 ABCB1 (0.87) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL4484377 0.90 ABCB1 (0.87) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL17558525 0.90 ABCB1 (0.87) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
SCHEMBL4484373 0.90 ABCB1 (0.87) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
(+/-)-Pentaacetylcatechin SCHEMBL719420 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1
(+/-)-Pentaacetylcatechin SCHEMBL14701425 0.90 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1SMN1; SMN2MEN1

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 7 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-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
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

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 ALDH1A1 2841/4885CYP3A4 3777/4885MAPK1 2263/4885
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME PSMC1, PSME1, PSMB1 ALDH1A1 2841/4885CYP3A4 3777/4885MAPK1 2263/4885
US-20140213802-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome PSMC1, PSME1, PSMB1 ALDH1A1 2841/4885CYP3A4 3777/4885MAPK1 2263/4885
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 ALDH1A1 1752/4885CYP3A4 1739/4885MAPK1 3159/4885

“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.