SCHEMBL13409662

SCHEMBL13409662

CC(C)=CCC[C@]1(C)C[C@H]1C=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CD81 P60033 2/20 0.34
PTGS2 P35354 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CNR2 P34972 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL13409657 1.00 ALDH1A1 (0.34) ALDH1A1CD81PTGS2ALOX15TSHR
SCHEMBL3928539 1.00 ALDH1A1 (0.34) ALDH1A1CD81PTGS2ALOX15TSHR
SCHEMBL13409656 1.00 ALDH1A1 (0.34) ALDH1A1CD81PTGS2ALOX15TSHR
SCHEMBL13409653 1.00 ALDH1A1 (0.34) ALDH1A1CD81PTGS2ALOX15TSHR
SCHEMBL14364472 1.00 ALDH1A1 (0.34) ALDH1A1CD81PTGS2ALOX15TSHR
SCHEMBL2211209 0.74 CD81 (0.45) ALDH1A1CD81ALOX15KMT2A
SCHEMBL14364476 0.73 CNR2 (0.34) ALDH1A1ALOX15CNR2KMT2A
SCHEMBL1786420 0.73 CNR2 (0.34) ALDH1A1ALOX15CNR2KMT2A
SCHEMBL1786418 0.73 CNR2 (0.34) ALDH1A1ALOX15CNR2KMT2A
SCHEMBL13949343 0.73 CNR2 (0.34) ALDH1A1ALOX15CNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240108040-A1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2024-04-04 US disclosed
US-11758933-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2023-09-19 US disclosed
EP-3368542-B1 HIGH INTENSITY SWEETENERS FIRMENICH INCORPORATED (US) 2022-06-22 EP disclosed
US-11357246-B2 High intensity sweeteners FIRMENICH INCORPORATED (US) 2022-06-14 US disclosed
US-20210227863-A1 HIGH INTENSITY SWEETENERS SENOMYX, INC. 2021-07-29 US disclosed
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 US disclosed
EP-3368542-A2 HIGH INTENSITY SWEETENERS Senomyx, Inc. (US) 2018-09-05 EP disclosed
US-7704941-B2 Citral derivatives FLEXITRAL, INC. (US) 2010-04-27 US disclosed
US-7704941-B2 Citral derivatives FLEXITRAL, INC. (US) 2010-04-27 US disclosed
US-20080015136-A1 CITRAL DERIVATIVES FLEXITRAL, INC. (US) 2008-01-17 US disclosed
US-20080015136-A1 CITRAL DERIVATIVES FLEXITRAL, INC. (US) 2008-01-17 US disclosed
US-7309795-B2 Citral derivatives FLEXITRAL, INC. 2007-12-18 US disclosed
US-7309795-B2 Citral derivatives FLEXITRAL, INC. 2007-12-18 US disclosed
US-20070276152-A1 Aromachemicals FLEXITRAL, INC. (US) 2007-11-29 US disclosed
US-20070276152-A1 Aromachemicals FLEXITRAL, INC. (US) 2007-11-29 US disclosed
US-20070264340-A1 Aromachemicals FLEXITRAL, INC. (US) 2007-11-15 US disclosed
WO-2007120513-A1 AROMACHEMICALS COMPRISING A NITRILE GROUP FLEXITRAL, INC. (US) 2007-10-25 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 (10 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-20240108040-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CD81 3786/4885PTGS2 2509/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 ALDH1A1 3726/4885CD81 4466/4885PTGS2 1615/4885
US-11357246-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CD81 3786/4885PTGS2 2509/4885
US-20070276152-A1 Aromachemicals TAS2R1, OR10J3, TAS2R4 ALDH1A1 189/4885CD81 2907/4885PTGS2 1845/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ALDH1A1 3880/4885CD81 4505/4885PTGS2 1259/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 ALDH1A1 3880/4885CD81 4505/4885PTGS2 1259/4885
US-20210227863-A1 HIGH INTENSITY SWEETENERS TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CD81 3786/4885PTGS2 2509/4885
US-11758933-B2 High intensity sweeteners TAS2R40, TAS2R60, TAS1R1 ALDH1A1 978/4885CD81 3786/4885PTGS2 2509/4885
US-20080015136-A1 CITRAL DERIVATIVES TAS2R5, TAS2R7, TAS2R8 ALDH1A1 234/4885CD81 1386/4885PTGS2 1343/4885
US-20070264340-A1 Aromachemicals OR10J3, CBR3, OR51E2 ALDH1A1 173/4885CD81 1155/4885PTGS2 2360/4885

“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.