SCHEMBL5265253

SCHEMBL5265253

Oc1ccc([C@H]2Oc3c(Br)c(OCc4ccccc4)cc(OCc4ccccc4)c3C(Cc3ccccc3)[C@@H]2OCc2ccccc2)cc1O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.35
▸ ALOX5 P09917 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ BCHE P06276 2/20 0.32
▸ ACHE P22303 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PTGES O14684 3/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ MAOB P27338 1/20 0.31

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
SCHEMBL5267655 1.00 SIRT1 (0.35) SIRT1ALOX5PTPN1MCL1BCHE
SCHEMBL5370812 0.87 PTPN1 (0.32) SIRT1ALOX5PTPN1MCL1PTGES
SCHEMBL6671393 0.85 SIRT1 (0.34) SIRT1ALOX5PTPN1MCL1BCHE
SCHEMBL3669027 0.82 BCHE (0.36) SIRT1ALOX5PTPN1MCL1BCHE
SCHEMBL3670779 0.82 BCHE (0.36) SIRT1ALOX5PTPN1MCL1BCHE
SCHEMBL15442718 0.82 BCHE (0.36) SIRT1ALOX5PTPN1MCL1BCHE
SCHEMBL5268327 0.75 SIRT1 (0.33) SIRT1MCL1
SCHEMBL5440151 0.75 SIRT1 (0.33) SIRT1MCL1
SCHEMBL5371313 0.74 GAA (0.33) —
SCHEMBL6690567 0.73 BCHE (0.38) SIRT1MCL1BCHEACHEPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317437-B1 SYNTHESIS OF 4-ALPHA-ARYLEPICATECHINS MARS INC (US) 2007-10-03 — — EP 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
EP-1169304-B1 8-8, 6-6 AND 6-8 CATECHIN AND EPICATECHIN DIMERS AND METHODS FOR THEIR PREPARATION MARS INC (US) 2004-09-29 — — EP 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
US-6156912-A 88, 66, and 68 catechin and epicatechin dimers and methods for their preparation MARS, INCORPORATED (US) 2000-12-05 — — 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 (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 SIRT1 1320/4885ALOX5 3936/4885PTPN1 4789/4885
US-20050014958-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 SIRT1 1749/4885ALOX5 4230/4885PTPN1 4834/4885

“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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