SCHEMBL14535256

SCHEMBL14535256

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]3O)cc12)c1cc(O)c(O)c(O)c1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 4/20 0.94
▸ KDM4E B2RXH2 6/20 0.90
▸ MEN1 O00255 6/20 0.90
▸ MAPT P10636 6/20 0.90
▸ RECQL P46063 6/20 0.90
▸ KMT2A Q03164 6/20 0.90
▸ TDP1 Q9NUW8 6/20 0.90
▸ USP2 O75604 5/20 0.90
▸ ALOX15 P16050 5/20 0.90
▸ APEX1 P27695 5/20 0.90
▸ BLM P54132 5/20 0.90
▸ HSD17B10 Q99714 5/20 0.90
▸ HPGD P15428 4/20 0.90
▸ CYP3A4 P08684 3/20 0.90
▸ GALK1 P51570 3/20 0.90
▸ THRB P10828 2/20 0.90
▸ CASP1 P29466 2/20 0.90
▸ LMNA P02545 2/20 0.90
▸ SLCO1B3 Q9NPD5 2/20 0.90
▸ SLCO1B1 Q9Y6L6 2/20 0.90

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
SCHEMBL25937926 1.00 BCL2 (0.94) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL29350322 1.00 BCL2 (0.94) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL12240726 1.00 BCL2 (0.94) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL13530897 1.00 BCL2 (0.94) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL29373670 1.00 BCL2 (0.94) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL13300891 1.00 BCL2 (0.94) BCL2KDM4EMEN1MAPTRECQL
SCHEMBL12792863 1.00 BCL2 (0.94) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL13300888 0.97 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL12658745 0.97 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL
Theaflavin Monogallates SCHEMBL12672616 0.97 BCL2 (1.00) BCL2KDM4EMEN1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957245-B2 Catalyst for synthesizing theaflavins and method for synthesizing theaflavins NBC MESHTEC INC. (JP) 2018-05-01 — — US disclosed
US-9957245-B2 Catalyst for synthesizing theaflavins and method for synthesizing theaflavins NBC MESHTEC INC. (JP) 2018-05-01 — — US disclosed
US-20170158660-A1 CATALYST FOR SYNTHESIZING THEAFLAVINS AND METHOD FOR SYNTHESIZING THEAFLAVINS NBC MESHTEC INC. (JP) 2017-06-08 — — US disclosed
US-20170158660-A1 CATALYST FOR SYNTHESIZING THEAFLAVINS AND METHOD FOR SYNTHESIZING THEAFLAVINS NBC MESHTEC INC. (JP) 2017-06-08 — — US disclosed
US-20070098765-A1 Method of making and using theaflavin, theaflavin-3-gallate, theaflavin-3'-gallate and theaflavin 3,3'-digallate and mixtures thereof ZHAO JIAN 2007-05-03 — — US disclosed
US-7157493-B2 Methods of making and using theaflavin, theaflavin-3-gallate, theaflavin-3′-gallate and theaflavin 3,3′-digallate and mixtures thereof NASHAI BIOTECH, LLC (US) 2007-01-02 — — 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-20170158660-A1 CATALYST FOR SYNTHESIZING THEAFLAVINS AND METHOD FOR SYNTHESIZING THEAFLAVINS NDUFV1, NDUFV2, NDUFS2 BCL2 4343/4885KDM4E 1848/4885MEN1 1654/4885

“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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