SCHEMBL3679181

SCHEMBL3679181

O=C(CO)c1ccccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 5/20 0.60
NPC1 O15118 1/20 0.57
HTT P42858 1/20 0.57
GAA P10253 1/20 0.56
PARP1 P09874 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
FOLH1 Q04609 1/20 0.51
PTGER1 P34995 1/20 0.51

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
SCHEMBL6562177 0.85 HTT (0.60) SGMS2NPC1HTTGAAPARP1
SCHEMBL2999130 0.85 SGMS2 (0.59) SGMS2NPC1HTTGAAPARP1
SCHEMBL30194507 0.85 SGMS2 (0.59) SGMS2NPC1HTTGAAPARP1
SCHEMBL14339650 0.85 SGMS2 (0.59) SGMS2NPC1HTTGAAPARP1
SCHEMBL19156329 0.85 SGMS2 (0.59) SGMS2NPC1HTTGAAPARP1
SCHEMBL4431127 0.85 SGMS2 (0.59) SGMS2NPC1HTTGAAPARP1
SCHEMBL6243854 0.85 NPC1 (0.64) SGMS2NPC1HTTGAAPARP1
SCHEMBL7344495 0.85 SGMS2 (0.59) SGMS2NPC1HTTGAAPARP1
SCHEMBL4944383 0.85 NPC1 (0.60) SGMS2NPC1HTTGAAPARP1
SCHEMBL3674806 0.84 MAOB (0.62) NPC1MEN1KMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101248057-A Preparation of (+) -catechin, (-) -epicatechin, (-) -catechin, (+) -epicatechin, and their 5, 7, 3 ', 4' -tetra-O-benzyl analogues MARS INC (US) 2008-08-20 CN 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
EP-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
EP-0968202-B1 Process for preparing photoactive coumarin dervatives CLARIANT FINANCE BVI LTD (VG) 2002-07-03 EP disclosed
EP-0977747-B1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT FINANCE BVI LTD (VG) 2002-06-12 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
CN-1254338-A Process for preparing photoactive coumarin derivatives HOECHST CELANESE CORP (CH) 2000-05-24 CN disclosed
CN-1251584-A Photoactive coumarin derivatives HOECHST CELANESE INTERNATIONAL (CH) 2000-04-26 CN disclosed
EP-0977747-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-02-09 EP disclosed
EP-0968202-A1 PROCESS FOR PREPARING PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 2000-01-05 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed
WO-1998039317-A1 PROCESS FOR PREPARING PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
WO-1998039319-A1 PHOTOACTIVE COUMARIN DERIVATIVES CLARIANT INTERNATIONAL LTD. (CH) 1998-09-11 WO disclosed
US-5703075-A Antiatherosclerotic and antithrombotic 1-benzopyran-4-ones and 2-amino-1,3-benzoxazine-4-ones PHARMACIA & UPJOHN COMPANY (US) 1997-12-30 US disclosed
US-5144029-A Calcium antagonist DELALANDE S.A. (FR) 1992-09-01 US disclosed
EP-0459983-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES PHARMACIA & UPJOHN COMPANY (US) 1991-12-11 EP disclosed
WO-1990006921-A1 ANTIATHEROSCLEROTIC AND ANTITHROMBOTIC 1-BENZOPYRAN-4-ONES AND 2-AMINO-1,3-BENZOXAZINE-4-ONES THE UPJOHN COMPANY (US) 1990-06-28 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 (1 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-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD SGMS2 2976/4885NPC1 3536/4885HTT 236/4885

“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.