SCHEMBL5267159

SCHEMBL5267159

c1ccc(COc2cc(OCc3ccccc3)c3c(c2)OC(c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)C(OCc2ccccc2)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ F10 P00742 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ABCB1 P08183 6/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ MAOB P27338 3/20 0.38
▸ MAOA P21397 2/20 0.38
▸ HIF1A Q16665 1/20 0.36

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
SCHEMBL18427349 1.00 STING1 (0.46) STING1MEN1MAPTKMT2AF10
SCHEMBL18427309 1.00 STING1 (0.46) STING1MEN1MAPTKMT2AF10
SCHEMBL3921970 0.91 STING1 (0.46) STING1MEN1MAPTKMT2AF10
SCHEMBL5524426 0.91 STING1 (0.44) STING1MEN1MAPTKMT2AF10
SCHEMBL14691305 0.90 STING1 (0.42) STING1MEN1MAPTKMT2AF10
SCHEMBL31160647 0.89 STING1 (0.44) STING1MEN1MAPTKMT2AF10
SCHEMBL31161069 0.89 STING1 (0.44) STING1MEN1MAPTKMT2AF10
SCHEMBL31160649 0.89 STING1 (0.44) STING1MEN1MAPTKMT2AF10
SCHEMBL17358246 0.88 STING1 (0.42) STING1MEN1MAPTKMT2AF10
SCHEMBL17358236 0.88 STING1 (0.42) STING1MEN1MAPTKMT2AF10

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 13 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-20050020512-A1 Synthesis of oligomeric epicatechin and catechin-derived procyanidins MARS, INCORPORATED 2005-01-27 — — US claimed
US-6476241-B1 Synthesis of 4α-arylepicatechins MARS INCORPORATED 2002-11-05 — — 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-7015338-B1 Synthetic methods for preparing procyanidin oligomers MARS INCORPORATED (US) 2006-03-21 — — 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 STING1 4810/4885MEN1 4010/4885MAPT 2148/4885
US-20050014958-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 STING1 4810/4885MEN1 3950/4885MAPT 1948/4885
US-20070197804-A1 Synthesis of 4alpha-arylepicatechins FABP7, FABP4, TEAD4 STING1 4810/4885MEN1 3950/4885MAPT 1948/4885

“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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