SCHEMBL4070600

SCHEMBL4070600

COc1cc(C(C=O)c2ccc(O)cc2O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.52
TYR P14679 2/20 0.52
ACHE P22303 2/20 0.52
MAOB P27338 1/20 0.51
TSHR P16473 2/20 0.48
BLM P54132 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
TRIM24 O15164 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
NFKB1 P19838 2/20 0.44
PMP22 Q01453 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL5490550 0.92 ALDH1A1 (0.43) BCHETYRACHEMAOBTSHR
SCHEMBL4661084 0.90 TYR (0.65) BCHETYRACHEMAOBTSHR
SCHEMBL22365701 0.90 TYR (0.65) BCHETYRACHEMAOBTSHR
SCHEMBL14156960 0.86 ALDH1A1 (0.50) BCHETYRACHEALDH1A1MEN1
SCHEMBL4658833 0.83 TSHR (0.50) BCHETYRACHEMAOBTSHR
SCHEMBL3955351 0.83 MEN1 (0.51) BCHETYRACHECYP3A4TDP1
SCHEMBL20267292 0.83 TSHR (0.50) BCHETYRACHEMAOBTSHR
SCHEMBL7723547 0.82 TYR (0.40) BCHETYRACHETSHRBLM
SCHEMBL2827168 0.80 TYR (0.43) TYRMAOBALDH1A1HPGDALDH5A1
SCHEMBL2174674 0.80 NR1H4 (0.45) TYRMAOBTSHRMEN1KMT2A

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
EP-3383200-A1 SUBSTANCE MIXTURES Symrise AG (DE) 2018-10-10 EP claimed
WO-2017092796-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2017-06-08 WO claimed
EP-2001448-A2 FLAVOR-ENHANCING COMPOSITIONS, METHODS OF MANUFACTURE, AND METHODS OF USE Cadbury Adams USA LLC (US) 2008-12-17 EP claimed
WO-2007089652-A2 FLAVOR-ENHANCING COMPOSITIONS, METHODS OF MANUFACTURE, AND METHODS OF USE CADBURY ADAMS USA LLC (US) 2007-08-09 WO claimed
EP-3700352-A1 AROMA COMPOSITION Symrise AG (DE) 2020-09-02 EP disclosed
EP-3554279-A1 DELIVERY SYSTEM FOR FOOD ADDITIVES AND ITS PREPARATION Symrise AG (DE) 2019-10-23 EP disclosed
EP-3454825-A1 MENTHOL-CONTAINING AROMA PREPARATIONS Symrise AG (DE) 2019-03-20 EP disclosed
EP-3451857-A1 COOLANT MIXTURES Symrise AG (DE) 2019-03-13 EP disclosed
EP-3383200-A1 SUBSTANCE MIXTURES Symrise AG (DE) 2018-10-10 EP disclosed
WO-2018108267-A1 DELIVERY SYSTEM FOR FOOD ADDITIVES AND ITS PREPARATION SYMRISE AG (DE) 2018-06-21 WO disclosed
WO-2017198284-A1 MENTHOL-CONTAINING AROMA PREPARATIONS SYMRISE AG (DE) 2017-11-23 WO disclosed
WO-2017190789-A1 COOLANT MIXTURES SYMRISE AG (DE) 2017-11-09 WO disclosed
WO-2017186299-A1 USE OF 3-(3-HYDROXY-4-METHOXY-PHENYL)-1-(2,4,6-TRIHYDROXY-PHENYL)-PROPAN-1-ONE SYMRISE AG (DE) 2017-11-02 WO disclosed
WO-2017092796-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2017-06-08 WO disclosed
EP-2993990-A1 BEVERAGES CONTAINING RARE SUGARS The Coca-Cola Company (US) 2016-03-16 EP disclosed
WO-2016016153-A1 HYDROXYFLAVANONES AS APPETITE STIMULANTS SYMRISE AG (DE) 2016-02-04 WO disclosed
WO-2015091298-A1 AROMA MIXTURES SYMRISE AG (DE) 2015-06-25 WO disclosed
WO-2014152791-A1 BEVERAGES CONTAINING RARE SUGARS THE COCA-COLA COMPANY (US) 2014-09-25 WO disclosed
WO-2014083202-A1 USE OF CINNAMIC ACID DERIVATIVES CONTAINING NITROGEN AS FLAVOURING AGENTS SYMRISE AG (DE) 2014-06-05 WO disclosed
EP-1868452-B1 HYDROXYDEOXYBENZOINS AND THE USE THEREOF TO MASK A BITTER TASTE SYMRISE GMBH & CO KG (DE) 2009-07-22 EP disclosed