SCHEMBL6509053

SCHEMBL6509053

COc1cc([C@H]2CC(=O)c3cc(O)cc(O)c3O2)ccc1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP1B1 Q16678 2/20 0.68
POLB P06746 2/20 0.68
PTPN1 P18031 1/20 0.68
CYP19A1 P11511 6/20 0.64
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
XDH P47989 2/20 0.56
MAPT P10636 2/20 0.56
ATM Q13315 2/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
PKM P14618 1/20 0.56
NPC1 O15118 1/20 0.56
CA12 O43570 1/20 0.56
KDM1A O60341 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL2319144 0.91 CYP19A1 (0.68) CYP1A1CYP1A2CYP1B1POLBPTPN1
SCHEMBL5084379 0.87 PTPN1 (0.51) CYP1A1CYP1A2CYP1B1POLBPTPN1
SCHEMBL15453038 0.86 PTPN1 (0.65) CYP1A1CYP1A2CYP1B1POLBPTPN1
SCHEMBL6503931 0.86 POLB (0.62) CYP1A1CYP1A2CYP1B1POLBPTPN1
SCHEMBL17318042 0.85 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL7200859 0.85 CYP1A1 (0.67) CYP1A1CYP1A2CYP1B1CYP19A1CYP3A4
SCHEMBL2781916 0.85 MAPT (0.71) CYP1A1CYP1A2CYP1B1POLBCYP19A1
SCHEMBL14829728 0.83 CYP19A1 (0.65) CYP1A1CYP1A2CYP1B1POLBPTPN1
Hesperetin SCHEMBL5202125 0.83 CYP19A1 (0.84) CYP1A1CYP1A2CYP1B1POLBCYP19A1
SCHEMBL349721 0.82 CYP19A1 (0.62) CYP1A1CYP1A2CYP1B1POLBCYP19A1

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
EP-3235492-B1 USE OF HOMOERIODICTYOL (HED) FOR REDUCING THE GASTRIC ACID SECRETION STIMULATING EFFECT OF N-ACETYL-4-AMINOPHENOL (PARACETAMOL) SYMRISE AG (DE) 2019-06-12 EP disclosed
WO-2017182538-A1 THE USE OF HOMOERIODICTYOL (HED) FOR REDUCING THE GASTRIC ACID SECRETION-STIMULATING EFFECT OF N-ACETYL-4-AMINOPHENOL (PARACETAMOL) SYMRISE AG (DE) 2017-10-26 WO disclosed
EP-3235492-A1 USE OF HOMOERIODICTYOL (HED) FOR REDUCING THE GASTRIC ACID SECRETION STIMULATING EFFECT OF N-ACETYL-4-AMINOPHENOL (PARACETAMOL) Symrise AG (DE) 2017-10-25 EP disclosed
WO-2004041804-B1 TECHNICAL PROCESS FOR ISOLATING HOMOERIODICTYOL SYMRISE GMBH & CO KG (DE) 2005-01-27 WO disclosed
WO-2004041804-A3 TECHNICAL PROCESS FOR ISOLATING HOMOERIODICTYOL SYMRISE GMBH & CO KG (DE) 2004-12-09 WO disclosed
WO-2004041804-A2 TECHNICAL PROCESS FOR ISOLATING HOMOERIODICTYOL SYMRISE GMBH & CO. KG (DE) 2004-05-21 WO disclosed
WO-2004041804-A2 TECHNICAL PROCESS FOR ISOLATING HOMOERIODICTYOL SYMRISE GMBH & CO. KG (DE) 2004-05-21 WO disclosed