SCHEMBL1472654

SCHEMBL1472654

CC(CO)Cc1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.71
CYP2D6 P10635 2/20 0.71
TAAR1 Q96RJ0 3/20 0.66
SLC6A4 P31645 3/20 0.66
SLC6A2 P23975 2/20 0.66
SLC6A3 Q01959 2/20 0.66
NPSR1 Q6W5P4 1/20 0.60
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ATM Q13315 1/20 0.55
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL29472832 1.00 CYP3A4 (0.71) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL2783585 1.00 CYP3A4 (0.71) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL2783507 1.00 CYP3A4 (0.71) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL18132989 0.90 CYP3A4 (0.57) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL14471389 0.85 TAAR1 (0.68) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL13003655 0.85 TAAR1 (0.68) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL23046948 0.83 TAAR1 (0.66) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL31380295 0.83 TAAR1 (0.71) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
SCHEMBL8585812 0.83 TAAR1 (0.66) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2
Dihydrocubebin SCHEMBL15775181 0.83 CYP3A4 (1.00) CYP3A4CYP2D6TAAR1SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020225-B1 Fragrance composition KAO CORP (JP) 2014-10-08 EP claimed
EP-2258696-A1 Process for preparing enriched enantiomers of 3-(Benzo[1,3]dioxol-5-yl)-2-methylpropanal ENDURA S.p.A. (IT) 2010-12-08 EP claimed
EP-2020225-A2 Fragrance composition Kao Corporation (JP) 2009-02-04 EP claimed
US-20050245407-A1 Fragrance composition KAO CORPORATION (JP) 2005-11-03 US claimed
EP-1552814-A1 FRAGRANCE COMPOSITION Kao Corporation (JP) 2005-07-13 EP claimed
US-6727221-B1 APPLYING TO HUMAN SKIN A PERFUME COMPOSITION COMPRISING AT LEAST 50% BY WEIGHT OF PERFUME COMPONENTS HAVING A MINIMUM INHIBITORY CONCENTRATION (MIC) FOR CORYNEFORM BACTERIA OF GREATER THAN 0.1% QUEST INTERNATIONAL B.V. (NL) 2004-04-27 US claimed
EP-1094784-B1 PERFUME COMPOSITION QUEST INT (NL) 2004-02-11 EP claimed
EP-1094784-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 2001-05-02 EP claimed
WO-2000001352-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO claimed
US-20260130959-A1 FUNGAL EXTRACTS AND FLAVOR COMBINATIONS THEREOF Mycotechnology, Inc. (US) 2026-05-14 US disclosed
US-20220193162-A1 FUNGAL EXTRACTS AND FLAVOR COMBINATIONS THEREOF Mycotechnology, Inc. (US) 2022-06-23 US disclosed
WO-2022102465-A1 ALDEHYDE COMPOSITION 三菱瓦斯化学株式会社 2022-05-19 WO disclosed
EP-3955946-A1 FUNGAL EXTRACTS AND FLAVOR COMBINATIONS THEREOF Mycotechnology, Inc. (US) 2022-02-23 EP disclosed
CN-108264642-B 2-carbonyl acetate-based nano-aroma precursor and application thereof 华东理工大学 2020-11-13 CN disclosed
US-6727221-B1 APPLYING TO HUMAN SKIN A PERFUME COMPOSITION COMPRISING AT LEAST 50% BY WEIGHT OF PERFUME COMPONENTS HAVING A MINIMUM INHIBITORY CONCENTRATION (MIC) FOR CORYNEFORM BACTERIA OF GREATER THAN 0.1% QUEST INTERNATIONAL B.V. (NL) 2004-04-27 US disclosed
EP-1094784-B1 PERFUME COMPOSITION QUEST INT (NL) 2004-02-11 EP disclosed
EP-1094784-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 2001-05-02 EP disclosed
WO-2000001352-A1 PERFUME COMPOSITION QUEST INTERNATIONAL B.V. (NL) 2000-01-13 WO disclosed
EP-0595197-B1 Enol ethers and odorant compositions containing them GIVAUDAN ROURE INT (CH) 1997-04-02 EP disclosed
EP-0595197-A1 Enol ethers and odorant compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1994-05-04 EP 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 (1 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-20260130959-A1 FUNGAL EXTRACTS AND FLAVOR COMBINATIONS THEREOF TAS2R8, TAS2R40, TAS1R3 CYP3A4 2148/4885CYP2D6 4454/4885TAAR1 298/4885

“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.