SCHEMBL898313

SCHEMBL898313

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.54
DUSP3 P51452 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
ALOX5 P09917 1/20 0.53
OR51E2 Q9H255 1/20 0.53

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
SCHEMBL899104 0.99 PTPN7 (0.53) PTPN7DUSP3ALDH1A1CYP1A2CYP3A4
SCHEMBL899105 0.99 PTPN7 (0.53) PTPN7DUSP3ALDH1A1CYP1A2CYP3A4
SCHEMBL29085521 0.91 ALPL (0.49) PTPN7DUSP3ALDH1A1CYP1A2CYP3A4
SCHEMBL5065588 0.90 TRPV1 (0.59) ALDH1A1CYP3A4HPGDALOX15
SCHEMBL898238 0.87 ALOX5 (0.58) ALOX5OR51E2
SCHEMBL29561675 0.87 ALOX5 (0.58) ALOX5OR51E2
SCHEMBL898978 0.87 HPGD (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1031773 0.85 TRPV1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14698338 0.84 APEX1 (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL899108 0.84 HPGD (0.56) 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 275 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108366597-B Substance mixture 西姆莱斯有限公司 2022-09-02 CN claimed
US-20200397026-A1 ANTIMICROBIALLY ACTIVE MIXTURES SYMRISE AG (DE) 2020-12-24 US claimed
EP-3355719-B1 USE OF SOME HYDROXYBENZOIC ACID AMIDES FOR MASKING UNPLEASANT TASTE SYMRISE AG (DE) 2020-08-19 EP claimed
US-10736829-B2 Use of certain hydroxybenzoic acid amides for masking unpleasant taste impressions SYMRISE AG (DE) 2020-08-11 US claimed
CN-111328261-A Mixture with antimicrobial action 西姆莱斯有限公司 2020-06-23 CN claimed
US-20190343777-A1 USE OF 3-(3-HYDROXY-4-METHOXY-PHENYL)-1-(2,4,6-TRIHYDROXY-PHENYL) PROPAN-1-ONE SYMRISE AG (DE) 2019-11-14 US claimed
EP-3383200-B1 COMPOSITIONS SYMRISE AG (DE) 2019-11-06 EP claimed
US-20190289886-A1 SUBSTANCE MIXTURES SYMRISE AG (DE) 2019-09-26 US claimed
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
US-20180311132-A1 USE OF CERTAIN HYDROXYBENZOIC ACID AMIDES FOR MASKING UNPLEASANT TASTE IMPRESSIONS SYMRISE AG (DE) 2018-11-01 US claimed
WO-2011024197-A1 PROCESS FOR PRODUCING A REDUCED BULK DENSITY SUCRALOSE CONTAINING SWEETENER SYSTEM AND PRODUCTS THEREOF V.B. MEDICARE PVT. LTD. (IN) 2011-03-03 WO claimed
EP-2008530-B1 Aroma composition for reducing or suppressing unwanted bitter and astringent impressions SYMRISE AG (DE) 2011-01-19 EP claimed
US-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION Leibniz-Institut fur Pflanzenbiochemie (DE) 2010-11-18 US 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
EP-2001448-A2 FLAVOR-ENHANCING COMPOSITIONS, METHODS OF MANUFACTURE, AND METHODS OF USE Cadbury Adams USA LLC (US) 2008-12-17 EP 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
WO-2007089652-A2 FLAVOR-ENHANCING COMPOSITIONS, METHODS OF MANUFACTURE, AND METHODS OF USE CADBURY ADAMS USA LLC (US) 2007-08-09 WO claimed
US-20070178123-A1 FLAVOR-ENHANCING COMPOSITIONS, METHOD OF MANUFACTURE, AND METHODS OF USE KRAFT FOODS GLOBAL BRANDS LLC 2007-08-02 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-10736829-B2 Use of certain hydroxybenzoic acid amides for masking unpleasant taste impressions FAM222B, FAM83B, CDY1; CDY1B PTPN7 4305/4885DUSP3 4287/4885ALDH1A1 3462/4885
US-20180311132-A1 USE OF CERTAIN HYDROXYBENZOIC ACID AMIDES FOR MASKING UNPLEASANT TASTE IMPRESSIONS FAM222B, FAM83B, CDY1; CDY1B PTPN7 4305/4885DUSP3 4287/4885ALDH1A1 3462/4885
US-20190343777-A1 USE OF 3-(3-HYDROXY-4-METHOXY-PHENYL)-1-(2,4,6-TRIHYDROXY-PHENYL) PROPAN-1-ONE TAS1R1, TAS1R3, TAS2R40 PTPN7 3658/4885DUSP3 3644/4885ALDH1A1 55/4885
US-20190289886-A1 SUBSTANCE MIXTURES PNN, NISCH, HES1 PTPN7 3509/4885DUSP3 3842/4885ALDH1A1 355/4885
US-20100292175-A1 USE OF HYDROXYFLAVAN DERIVATIVES FOR TASTE MODIFICATION TAS2R50, TAS2R60, TAS2R30 PTPN7 2733/4885DUSP3 2444/4885ALDH1A1 450/4885
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.