Theaflavin

Theaflavin

SCHEMBL4379393

O=c1c(O)cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c12

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 6/20 1.00
MAPT P10636 5/20 1.00
APEX1 P27695 5/20 1.00
RECQL P46063 5/20 1.00
HSD17B10 Q99714 5/20 1.00
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
HPGD P15428 4/20 1.00
ALOX15 P16050 4/20 1.00
TDP1 Q9NUW8 4/20 1.00
CYP3A4 P08684 4/20 1.00
BLM P54132 3/20 1.00
USP2 O75604 2/20 1.00
THRB P10828 2/20 1.00
CASP1 P29466 2/20 1.00
GALK1 P51570 2/20 1.00
BCL2 P10415 3/20 0.81
CYP17A1 P05093 1/20 0.81
CDK2 P24941 1/20 0.81
BACE1 P56817 6/20 0.67

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 SCHEMBL29373772 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL13530895 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL18346731 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL13300889 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL12658747 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL19551 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL14847403 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL17430775 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL12792925 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10
Theaflavin SCHEMBL29779739 1.00 KDM4E (1.00) KDM4EMAPTAPEX1RECQLHSD17B10

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-10131727-B2 Solid state matrix, process of preparation thereof, and process of preparation of theaflavins COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-11-20 US disclosed
US-20090298140-A1 Solid State Matrix, Process of Preparation Thereof, and Process of Preparation of Theaflavins COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2009-12-03 US disclosed