SCHEMBL9101384

SCHEMBL9101384

O[C@@H]1Cc2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ ABCB1 P08183 2/20 0.47
▸ STING1 Q86WV6 1/20 0.43
▸ BACE1 P56817 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ APEX1 P27695 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ ALPL P05186 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ APP P05067 1/20 0.42

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
SCHEMBL13507373 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL30141059 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL30141075 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL13507904 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL4640426 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL24983638 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL13507688 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL3669026 1.00 CYP3A4 (0.50) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL13117276 0.91 CYP3A4 (0.58) CYP3A4MAPK1ABCB1STING1BACE1
SCHEMBL9103972 0.91 CYP3A4 (0.58) CYP3A4MAPK1ABCB1STING1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981260-B1 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS SPHAERA PHARMA PRIVATE LTD (IN) 2021-01-13 — — EP disclosed
US-9975869-B2 Analogues of epicatechin and related polyphenols SPHAERA PHARMA PVT. LTD. (IN) 2018-05-22 — — US disclosed
EP-2668176-B1 A NOVEL PROCESS FOR SYNTHESIS OF POLYPHENOLS SPHAERA PHARMA PTE LTD (SG) 2017-05-17 — — EP disclosed
EP-2668176-B1 A NOVEL PROCESS FOR SYNTHESIS OF POLYPHENOLS SPHAERA PHARMA PTE LTD (SG) 2017-05-17 — — EP disclosed
US-9428482-B2 Process for synthesis of polyphenols SPHAERA PHARMA PTE. LTD. (SG) 2016-08-30 — — US disclosed
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-9060997-B2 Antifolate compounds for the treatment of melanoma UNIVERSIDAD DE MURCIA (ES) 2015-06-23 — — US disclosed
US-8710248-B2 (−)-epigallocatechin gallate derivatives for inhibiting proteasome THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-04-29 — — US disclosed
US-20140031421-A1 NOVEL PROCESS FOR SYNTHESIS OF POLYPHENOLS SPHAERA PHARMA PTE. LTD. (SG) 2014-01-30 — — 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-20100279971-A1 ANTIFOLATE COMPOUNDS FOR THE TREATMENT OF MELANOMA UNIVERSIDAD DE MURCIA (ES) 2010-11-04 — — US disclosed
US-7268240-B2 Synthetic methods for polyphenols MARS, INC. 2007-09-11 — — 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 CYP3A4 3777/4885MAPK1 2263/4885ABCB1 2548/4885
US-20140031421-A1 NOVEL PROCESS FOR SYNTHESIS OF POLYPHENOLS COMT, NQO1, SPR CYP3A4 48/4885MAPK1 1219/4885ABCB1 3765/4885
US-20160068503-A1 (-)-EPIGALLOCATECHIN GALLATE DERIVATIVES FOR INHIBITING PROTEASOME PSMC1, PSME1, PSMB1 CYP3A4 3777/4885MAPK1 2263/4885ABCB1 2548/4885
US-20100279971-A1 ANTIFOLATE COMPOUNDS FOR THE TREATMENT OF MELANOMA RECQL, MTX1, RRM2B CYP3A4 1857/4885MAPK1 3173/4885ABCB1 841/4885

“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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