SCHEMBL6509060

SCHEMBL6509060

COc1cc(C2Oc3cc(O)cc(O)c3CC2=O)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP1B1 Q16678 2/20 0.56
POLB P06746 1/20 0.56
PTPN1 P18031 2/20 0.50
CYP3A4 P08684 4/20 0.47
CYP19A1 P11511 3/20 0.47
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 3/20 0.47
CYP2C9 P11712 3/20 0.47
XDH P47989 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL28464161 0.93 CYP1A1 (0.53) CYP1A1CYP1A2CYP1B1POLBPTPN1
SCHEMBL2319151 0.92 CYP19A1 (0.57) CYP1A1CYP1A2CYP1B1POLBCYP3A4
SCHEMBL5084384 0.87 PTGS1 (0.46) CYP1A1CYP1A2CYP1B1POLBCYP3A4
SCHEMBL27205430 0.86 PTPN1 (0.47) CYP1A1CYP1A2CYP1B1POLBPTPN1
SCHEMBL7200862 0.85 CYP1A1 (0.54) CYP1A1CYP1A2CYP1B1POLBCYP3A4
SCHEMBL8249167 0.85 KDM4E (0.54) CYP1A1CYP1A2CYP1B1POLBCYP3A4
SCHEMBL2781922 0.85 KDM4E (0.54) CYP1A1CYP1A2CYP1B1POLBCYP3A4
SCHEMBL16151244 0.85 KDM4E (0.54) CYP1A1CYP1A2CYP1B1POLBCYP3A4
SCHEMBL8063267 0.84 GSK3B (0.49) CYP1A1CYP1A2CYP1B1POLBPTPN1
SCHEMBL15453036 0.83 PTPN1 (0.56) CYP1A1CYP1A2CYP1B1POLBPTPN1

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