SCHEMBL3674958

SCHEMBL3674958

COc1ccc(CCC(=O)c2c(O)cccc2O)cc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.80
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
SLC5A1 P13866 1/20 0.56
SLC5A2 P31639 1/20 0.56
CYP3A4 P08684 2/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 1/20 0.55
ACHE P22303 1/20 0.55
SGMS1 Q86VZ5 1/20 0.55
SGMS2 Q8NHU3 1/20 0.55
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
APEX1 P27695 1/20 0.54
KMT2A Q03164 1/20 0.54
GAA P10253 1/20 0.54
TUBB4A P04350 2/20 0.52
TUBB P07437 2/20 0.52
TUBA3C P0DPH7 2/20 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
SCHEMBL31511906 1.00 CYP19A1 (0.80) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL29386339 0.89 CYP19A1 (1.00) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL10328452 0.89 CYP19A1 (1.00) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL1843348 0.89 ALOX5 (0.65) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL15457886 0.89 CYP19A1 (0.89) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL30834837 0.89 ALOX5 (0.65) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL14071710 0.87 CYP19A1 (0.82) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL10328456 0.84 CYP19A1 (0.65) CYP19A1NFKB1CYP3A4CYP1A2TSHR
SCHEMBL31275137 0.82 CYP19A1 (0.74) CYP19A1NFKB1NFKB2RELASLC5A1
SCHEMBL17536646 0.82 CYP19A1 (0.74) CYP19A1NFKB1NFKB2RELASLC5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8709521-B2 Sweetener compositions having enhanced sweetness and improved temporal and/or flavor profiles THE COCA-COLA COMPANY (US) 2014-04-29 US claimed
EP-2160103-A1 SWEETENER COMPOSITIONS HAVING ENHANCED SWEETNESS AND IMPROVED TEMPORAL AND/OR FLAVOR PROFILES THE COCA-COLA COMPANY (US) 2010-03-10 EP claimed
US-20090053378-A1 Sweetener Compositions Having Enhanced Sweetness and Improved Temporal and/or Flavor Profiles THE COCA-COLA COMPANY (US) 2009-02-26 US claimed
WO-2008147726-A1 SWEETENER COMPOSITIONS HAVING ENHANCED SWEETNESS AND IMPROVED TEMPORAL AND/OR FLAVOR PROFILES THE COCA-COLA COMPANY (US) 2008-12-04 WO claimed
WO-2023278394-A1 POLYCATIONIC SALTS OF PHENOLIC COMPOUNDS AND USES THEREOF FIRMENICH INCORPORATED (US) 2023-01-05 WO disclosed
EP-3700352-B1 AROMA COMPOSITION SYMRISE AG (DE) 2021-09-22 EP disclosed
US-20200367542-A1 AROMA COMPOSITION SYMRISE AG (DE) 2020-11-26 US disclosed
US-10702484-B2 Use of 3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-phenyl) propan-1-one SYMRISE AG (DE) 2020-07-07 US disclosed
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 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
EP-2160103-B1 SWEETENER COMPOSITIONS HAVING ENHANCED SWEETNESS AND IMPROVED TEMPORAL AND/OR FLAVOR PROFILES COCA COLA CO (US) 2015-07-29 EP disclosed
US-8992892-B2 Use of 1-(2,4-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-one SYMRISE AG (DE) 2015-03-31 US disclosed
EP-2353403-B1 Use of 1-(2,4-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-on SYMRISE AG (DE) 2012-07-11 EP disclosed
EP-2353403-A1 Use of 1-(2,4-dihydroxy-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-propan-1-on Symrise AG (DE) 2011-08-10 EP disclosed
US-20110189108-A1 USE OF 1-(2,4-DIHYDROXY-PHENYL)-3-(3-HYDROXY-4-METHOXY-PHENYL)-PROPAN-1-ONE SYMRISE AG (DE) 2011-08-04 US disclosed
US-20110189108-A1 USE OF 1-(2,4-DIHYDROXY-PHENYL)-3-(3-HYDROXY-4-METHOXY-PHENYL)-PROPAN-1-ONE SYMRISE AG (DE) 2011-08-04 US disclosed
US-20090053378-A1 Sweetener Compositions Having Enhanced Sweetness and Improved Temporal and/or Flavor Profiles THE COCA-COLA COMPANY (US) 2009-02-26 US disclosed
US-20090053378-A1 Sweetener Compositions Having Enhanced Sweetness and Improved Temporal and/or Flavor Profiles THE COCA-COLA COMPANY (US) 2009-02-26 US disclosed
US-20090053378-A1 Sweetener Compositions Having Enhanced Sweetness and Improved Temporal and/or Flavor Profiles THE COCA-COLA COMPANY (US) 2009-02-26 US disclosed
WO-2008147726-A1 SWEETENER COMPOSITIONS HAVING ENHANCED SWEETNESS AND IMPROVED TEMPORAL AND/OR FLAVOR PROFILES THE COCA-COLA COMPANY (US) 2008-12-04 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 (4 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-20200367542-A1 AROMA COMPOSITION HES1, ADH1C, DHPS CYP19A1 761/4885NFKB1 3055/4885NFKB2 2885/4885
US-10702484-B2 Use of 3-(3-hydroxy-4-methoxy-phenyl)-1-(2,4,6-trihydroxy-phenyl) propan-1-one TAS1R1, TAS1R3, TAS2R40 CYP19A1 4577/4885NFKB1 3164/4885NFKB2 3555/4885
US-20110189108-A1 USE OF 1-(2,4-DIHYDROXY-PHENYL)-3-(3-HYDROXY-4-METHOXY-PHENYL)-PROPAN-1-ONE HES1, TAS2R20, TAS2R50 CYP19A1 4353/4885NFKB1 743/4885NFKB2 1261/4885
US-20190343777-A1 USE OF 3-(3-HYDROXY-4-METHOXY-PHENYL)-1-(2,4,6-TRIHYDROXY-PHENYL) PROPAN-1-ONE TAS1R1, TAS1R3, TAS2R40 CYP19A1 4577/4885NFKB1 3164/4885NFKB2 3555/4885

“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.