SCHEMBL5268319

SCHEMBL5268319

Brc1c(OCc2ccccc2)cc(OCc2ccccc2)c2c1OC(c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)C(OCc1ccccc1)C2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.38
▸ PDE4B Q07343 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ SLC6A4 P31645 2/20 0.37
▸ APP P05067 2/20 0.35
▸ PRMT5 O14744 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL5620025 0.91 SIRT1 (0.40) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL5264345 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL5265250 0.86 MAPT (0.47) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL8217017 0.84 CCR5 (0.37) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL8165225 0.83 DYRK1A (0.36) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL18427309 0.80 STING1 (0.46) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL18427349 0.80 STING1 (0.46) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL5267159 0.80 STING1 (0.46) PDE4APDE4BPDE4CPDE4DSTING1
SCHEMBL17358245 0.79 STING1 (0.42) PDE4APDE4BPDE4CPDE4DAPP
SCHEMBL17358236 0.79 STING1 (0.42) PDE4APDE4BPDE4CPDE4DAPP

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 16 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 claimed
US-7126014-B2 Synthesis of epecatechin-4α, 8-epicatechin and -catechin dimers and derivatives thereof MARS, INC. 2006-10-24 — — US claimed
US-6528664-B2 Synthetic methods for polyphenols MARS, INCORPORATED 2003-03-04 — — US claimed
US-6476241-B1 Synthesis of 4α-arylepicatechins MARS INCORPORATED 2002-11-05 — — US claimed
US-7282598-B2 Synthetic methods for preparing procyanidin oligomers MARS, INC. 2007-10-16 — — US disclosed
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-7015338-B1 Synthetic methods for preparing procyanidin oligomers MARS INCORPORATED (US) 2006-03-21 — — US disclosed
US-6864377-B2 Synthetic methods for preparing procyanidin oligomers MARS INCORPORATED (US) 2005-03-08 — — 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 PDE4A 4447/4885PDE4B 4611/4885PDE4C 4134/4885
US-20050014958-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 PDE4A 4312/4885PDE4B 4510/4885PDE4C 4049/4885
US-20070197804-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 PDE4A 4312/4885PDE4B 4510/4885PDE4C 4049/4885

“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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