SCHEMBL5264350

SCHEMBL5264350

O=C1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@@H]1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOB P27338 3/20 0.38
▸ MAOA P21397 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6078672 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAOB
SCHEMBL22529289 0.93 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1MAOB
SCHEMBL14427922 0.87 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AL3MBTL1MAOB
SCHEMBL7242379 0.86 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1MAOB
SCHEMBL10609388 0.83 ABCB1 (0.58) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL10608985 0.81 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APDE4APDE4B
SCHEMBL18427349 0.76 STING1 (0.46) ALDH1A1MEN1KMT2AMAOBMAOA
SCHEMBL5268318 0.76 PIN1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1MAOB
SCHEMBL18427309 0.76 STING1 (0.46) ALDH1A1MEN1KMT2AMAOBMAOA
SCHEMBL18427307 0.76 PIN1 (0.38) ALDH1A1MEN1KMT2AL3MBTL1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197804-A1 Synthesis of 4alpha-arylepicatechins MARS, INCORPORATED 2007-08-23 — — US claimed
EP-1317437-B1 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS MARS INC (US) 2007-10-03 — — EP disclosed
US-20070197804-A1 Synthesis of 4alpha-arylepicatechins MARS, INCORPORATED 2007-08-23 — — US disclosed
US-7126014-B2 Synthesis of epecatechin-4α, 8-epicatechin and -catechin dimers and derivatives thereof MARS, INC. 2006-10-24 — — US disclosed
US-20050014958-A1 Synthesis of 4alpha-arylepicatechins MARS, INCORPORATED 2005-01-20 — — US disclosed
US-6720432-B2 OXIDIZING HYDROXYL-PROTECTED BENZYLEPITCATECHIN, ADDING NUCLEOPHILIC ARYL-ORGANOMETALLIC REAGENT, AND DEOXYGENATING FORMING COMPOUNDS SUCH AS 3,5,7,3',4'-PENTA-O-BENZYL-4-HYDROXYEPICATECHIN; PROCYANIDINS MARS INCORPORATED 2004-04-13 — — US disclosed
EP-1317437-A2 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS Mars Incorporated (US) 2003-06-11 — — EP disclosed
US-20030100775-A1 Synthesis of 4alpha-arylepicatechins MARS INCORPORATED 2003-05-29 — — US disclosed
US-6476241-B1 Synthesis of 4α-arylepicatechins MARS INCORPORATED 2002-11-05 — — US disclosed
WO-2002020506-A2 SYNTHESIS OF 4α-ARYLEPICATECHINS MARS, INCORPORATED (US) 2002-03-14 — — WO 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 (3 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-20030100775-A1 Synthesis of 4alpha-arylepicatechins FABP4, TEAD4, FABP7 ALDH1A1 617/4885MEN1 4010/4885KMT2A 854/4885
US-20050014958-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 ALDH1A1 643/4885MEN1 3950/4885KMT2A 1050/4885
US-20070197804-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 ALDH1A1 643/4885MEN1 3950/4885KMT2A 1050/4885

“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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