SCHEMBL899104

SCHEMBL899104

COc1cc(CNC(=O)c2ccc(O)cc2O)ccc1O.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.53
DUSP3 P51452 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
ALOX5 P09917 1/20 0.52
OR51E2 Q9H255 1/20 0.52

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
SCHEMBL898313 0.99 PTPN7 (0.54) PTPN7DUSP3ALDH1A1CYP1A2CYP3A4
SCHEMBL899105 0.97 PTPN7 (0.53) PTPN7DUSP3ALDH1A1CYP1A2CYP3A4
SCHEMBL29085521 0.90 ALPL (0.49) PTPN7DUSP3ALDH1A1CYP1A2CYP3A4
SCHEMBL5065588 0.88 TRPV1 (0.59) ALDH1A1CYP3A4HPGDALOX15
SCHEMBL29561675 0.86 ALOX5 (0.58) ALOX5OR51E2
SCHEMBL898238 0.86 ALOX5 (0.58) ALOX5OR51E2
SCHEMBL898978 0.86 HPGD (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21623922 0.85 APEX1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1031773 0.84 TRPV1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14698338 0.83 APEX1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470464-A1 LAYER COMPOSITIONS WITH IMPROVED ELECTRICAL PARAMETERS COMPRISING PEDOT/PSS AND A STABILIZER Heraeus Deutschland GmbH & Co KG (DE) 2019-04-17 EP claimed
EP-2386211-B1 USE OF RUBUSOSIDE TO REDUCE OR SUPPRESS PARTICULAR UNPLEASANT TASTE SENSATIONS SYMRISE AG (DE) 2016-08-10 EP claimed
EP-2340719-B1 Aroma composition comprising o-coumaric acid to reduce or suppress undesirable taste impressions of sweeteners SYMRISE AG (DE) 2014-02-19 EP claimed
EP-2340719-A1 Aroma composition comprising o-coumaric acid to reduce or suppress undesirable taste impressions of sweeteners Symrise AG (DE) 2011-07-06 EP claimed
US-20110158919-A1 AROMA COMPOSITION COMPRISING O-COUMARIC ACID TO REDUCE OR SUPPRESS UNDESIRABLE TASTE IMPRESSIONS OF SWEETENERS SYMRISE AG (DE) 2011-06-30 US claimed
EP-2008530-B1 Aroma composition for reducing or suppressing unwanted bitter and astringent impressions SYMRISE AG (DE) 2011-01-19 EP claimed
EP-2220945-A1 Aroma composition to reduce or suppress undesirable bitter and astringent taste impressions of sweeteners Symrise GmbH & Co. KG (DE) 2010-08-25 EP claimed
US-20100151055-A1 Aroma Composition to Reduce or Suppress Undesirable Bitter and Astringent Taste Impressions of Sweeteners SYMRISE GMBH & CO. KG (DE) 2010-06-17 US claimed
US-20080317923-A1 AROMA COMPOSITION FOR REDUCING OR SUPPRESSING AN UNDESIRED BITTER, ASTRINGENT IMPRESSION SYMRISE GMBH & CO. KG (DE) 2008-12-25 US claimed
US-20080214675-A1 Hydroxybenzoic Acid Amides and the Use Thereof For Masking Bitter Taste SYMRISE GMBH & CO. KG (DE) 2008-09-04 US claimed
US-11744787-B2 Menthol-containing aroma preparations SYMRISE AG (DE) 2023-09-05 US disclosed
US-20230139835-A1 ALLULOSE IN CRYSTALLINE FORM SAVANNA INGREDIENTS GMBH (DE) 2023-05-04 US disclosed
US-11600449-B2 Layer compositions with improved electrical parameters comprising PEDOT/PSS and a stabilizer HERAEUS PRECIOUS METALS GMBH & CO. KG (DE) 2023-03-07 US disclosed
EP-3419033-B1 A SOLID POLYMER CAPACITOR HAVING IMPROVED ELECTRICAL PARAMETERS AT LOW TEMPERATURE HERAEUS DEUTSCHLAND GMBH & CO KG (DE) 2023-02-01 EP disclosed
EP-3554279-B1 DELIVERY SYSTEM FOR FOOD ADDITIVES AND ITS PREPARATION SYMRISE AG (DE) 2021-09-22 EP disclosed
US-20080220140-A1 USE OF PROPENYLPHENYL GLYCOSIDES FOR ENHANCING SWEET SENSORY IMPRESSIONS SYMRISE GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-20080214675-A1 Hydroxybenzoic Acid Amides and the Use Thereof For Masking Bitter Taste SYMRISE GMBH & CO. KG (DE) 2008-09-04 US disclosed
WO-2008046895-A1 SUBSTITUTED BICYCLO[4.1.0]HEPTANE-7-CARBOXYLIC ACID AMIDES AND DERIVATIVES THEREOF AS FOOD FLAVOR SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-04-24 WO disclosed
EP-1909599-A1 USE OF HESPERETIN FOR ENHANCING THE SWEET TASTE Symrise GmbH & Co. KG (DE) 2008-04-16 EP disclosed
WO-2007014879-A1 USE OF HESPERETIN FOR ENHANCING THE SWEET TASTE SYMRISE GMBH & CO. KG (DE) 2007-02-08 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-11744787-B2 Menthol-containing aroma preparations CHRM1, MSMO1, NR1H3 PTPN7 4871/4885DUSP3 4781/4885ALDH1A1 423/4885
US-20230139835-A1 ALLULOSE IN CRYSTALLINE FORM SI, SORD, NOTUM PTPN7 4173/4885DUSP3 4204/4885ALDH1A1 2204/4885
US-20080214675-A1 Hydroxybenzoic Acid Amides and the Use Thereof For Masking Bitter Taste TAS1R1, TAS2R1, TAS1R2 PTPN7 3036/4885DUSP3 4753/4885ALDH1A1 567/4885

“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.