SCHEMBL3668993

SCHEMBL3668993

OC1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2OC(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 1/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ MAOA P21397 2/20 0.36
▸ APP P05067 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ XDH P47989 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35

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
SCHEMBL3669336 1.00 PIN1 (0.39) PIN1HIF1AL3MBTL1ALDH1A1CA2
SCHEMBL20169876 0.90 S1PR5 (0.39) PIN1L3MBTL1CA2CA5AMAOB
SCHEMBL20169877 0.90 S1PR5 (0.39) PIN1L3MBTL1CA2CA5AMAOB
SCHEMBL14408041 0.89 APP (0.39) PIN1HIF1AL3MBTL1ALDH1A1CA2
SCHEMBL18427307 0.89 PIN1 (0.38) PIN1HIF1AL3MBTL1ALDH1A1CA2
SCHEMBL14408042 0.89 APP (0.39) PIN1HIF1AL3MBTL1ALDH1A1CA2
SCHEMBL5265501 0.89 PIN1 (0.38) PIN1HIF1AL3MBTL1ALDH1A1CA2
SCHEMBL5268318 0.89 PIN1 (0.38) PIN1HIF1AL3MBTL1ALDH1A1CA2
SCHEMBL14408048 0.85 PIN1 (0.37) PIN1HIF1AL3MBTL1ALDH1A1CA2
SCHEMBL5361040 0.85 PIN1 (0.37) PIN1HIF1AL3MBTL1ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004508362-A — — 2004-03-18 — — JP claimed
EP-1317437-A2 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS Mars Incorporated (US) 2003-06-11 — — EP claimed
US-20030100775-A1 Synthesis of 4alpha-arylepicatechins MARS INCORPORATED 2003-05-29 — — US claimed
WO-2002020506-A2 SYNTHESIS OF 4α-ARYLEPICATECHINS MARS, INCORPORATED (US) 2002-03-14 — — WO claimed
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 — — US disclosed
EP-1896443-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2008-03-12 — — EP disclosed
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 — — 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 (2 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 PIN1 3735/4885HIF1A 1780/4885L3MBTL1 1391/4885
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD PIN1 4267/4885HIF1A 1702/4885L3MBTL1 2565/4885

“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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