SCHEMBL5112450

SCHEMBL5112450

CC(=O)Oc1cccc(C(=O)OC2Cc3c(OC(C)=O)cc(OC(C)=O)cc3OC2c2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)c1

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.84
STING1 Q86WV6 3/20 0.72
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
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
SCHEMBL5112439 1.00 ABCB1 (0.84) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL5112444 1.00 ABCB1 (0.84) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL17206973 0.93 ABCB1 (0.81) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL4481085 0.93 ABCB1 (0.87) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL4481090 0.93 ABCB1 (0.87) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL4481080 0.93 ABCB1 (0.87) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL4494818 0.92 ABCB1 (0.94) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL4494815 0.92 ABCB1 (0.94) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL4494812 0.92 ABCB1 (0.94) ABCB1STING1ALDH1A1CYP3A4MAPK1
SCHEMBL9885103 0.91 ABCB1 (1.00) ABCB1STING1ALDH1A1CYP3A4MAPK1

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 ABCB1 2548/4885STING1 3254/4885ALDH1A1 2841/4885
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME PSMC1, PSME1, PSMB1 ABCB1 2548/4885STING1 3254/4885ALDH1A1 2841/4885
US-20140213802-A1 (-)-Epigallocatechin Gallate Derivatives for Inhibiting Proteasome PSMC1, PSME1, PSMB1 ABCB1 2548/4885STING1 3254/4885ALDH1A1 2841/4885
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 ABCB1 1438/4885STING1 3187/4885ALDH1A1 1752/4885

“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.