Theaflavin Digallate

Theaflavin Digallate

SCHEMBL17131968

O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c2c(=O)c(O)cc([C@@H]3Oc4cc(O)cc(O)c4C[C@H]3OC(=O)c3cc(O)c(O)c(O)c3)cc12)c1cc(O)c(O)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
MEN1 O00255 4/20 1.00
MAPT P10636 4/20 1.00
RECQL P46063 4/20 1.00
KMT2A Q03164 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
USP2 O75604 3/20 1.00
HPGD P15428 3/20 1.00
ALOX15 P16050 3/20 1.00
APEX1 P27695 3/20 1.00
BLM P54132 3/20 1.00
HSD17B10 Q99714 3/20 1.00
CYP3A4 P08684 2/20 1.00
MAPK1 P28482 2/20 1.00
GALK1 P51570 2/20 1.00
SLCO1B3 Q9NPD5 2/20 1.00
SLCO1B1 Q9Y6L6 2/20 1.00
LMNA P02545 1/20 1.00
THRB P10828 1/20 1.00
CASP1 P29466 1/20 1.00

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
Theaflavin Digallate SCHEMBL12240725 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL29392662 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL31695388 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL13287244 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL12672295 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL29364383 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL29463978 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL13530894 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
Theaflavin Digallate SCHEMBL12658741 1.00 KDM4E (1.00) KDM4EMEN1MAPTRECQLKMT2A
SCHEMBL17206814 0.99 KDM4E (0.98) KDM4EMEN1MAPTRECQLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 US disclosed
US-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase YALE UNIVERSITY (US) 2015-10-01 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 (1 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-20150272939-A1 Identification of Small Molecule Inhibitors of Jumonji AT-Rich Interactive Domain 1A (JARID1A) and 1B (JARID1B) Histone Demethylase KDM1B, KDM1A, JMJD1C KDM4E 19/4885MEN1 3296/4885MAPT 4286/4885

“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.