SCHEMBL23116186

SCHEMBL23116186

C/C=C\C(=O)OC(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
CYP19A1 P11511 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
TSHR P16473 1/20 0.33
RNPEP Q9H4A4 1/20 0.32
SLC7A5 Q01650 1/20 0.32
LAP3 P28838 4/20 0.31
ANPEP P15144 3/20 0.31
ERAP1 Q9NZ08 1/20 0.31
CA12 O43570 1/20 0.31
AKR1B10 O60218 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
AKR1B1 P15121 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL273806 1.00 HCAR2 (0.39) HCAR2CYP19A1MMP1MMP2MMP3
SCHEMBL273808 1.00 HCAR2 (0.39) HCAR2CYP19A1MMP1MMP2MMP3
SCHEMBL3482499 0.89 HCAR2 (0.48) HCAR2CYP19A1MMP1MMP2MMP3
SCHEMBL9719175 0.89 HCAR2 (0.48) HCAR2CYP19A1MMP1MMP2MMP3
SCHEMBL11741771 0.89 HCAR2 (0.48) HCAR2CYP19A1MMP1MMP2MMP3
SCHEMBL15855993 0.86 HCAR2 (0.35) HCAR2MMP1MMP2MMP3MMP9
SCHEMBL15855994 0.86 HCAR2 (0.35) HCAR2MMP1MMP2MMP3MMP9
SCHEMBL2173042 0.85 CTSK (0.38) HCAR2MMP1MMP2MMP3MMP9
SCHEMBL2173055 0.85 CTSK (0.38) HCAR2MMP1MMP2MMP3MMP9
SCHEMBL1881287 0.83 HCAR2 (0.39) HCAR2MMP1MMP2MMP3MMP9

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111479549-B Aromatic substance mixture containing 8, 8-dimethyl-6, 10-dioxaspiro [4.5] decane 西姆莱斯有限公司 2023-09-12 CN claimed
US-11597895-B2 Aromatic substance mixtures containing 8,8-dimethyl-6,10-dioxaspiro[4,5]decane SYMRISE AG (DE) 2023-03-07 US claimed
EP-3723709-B1 PERFUME MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE SYMRISE AG (DE) 2021-03-31 EP claimed
US-20210087500-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE SYMRISE AG (DE) 2021-03-25 US claimed
CN-111479549-A Aromatic substance mixture containing 8, 8-dimethyl-6, 10-dioxaspiro [4.5] decane 西姆莱斯有限公司 2020-07-31 CN claimed
CN-111479549-B Aromatic substance mixture containing 8, 8-dimethyl-6, 10-dioxaspiro [4.5] decane 西姆莱斯有限公司 2023-09-12 CN disclosed
EP-3723709-B1 PERFUME MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE SYMRISE AG (DE) 2021-03-31 EP disclosed
CN-111479549-A Aromatic substance mixture containing 8, 8-dimethyl-6, 10-dioxaspiro [4.5] decane 西姆莱斯有限公司 2020-07-31 CN 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 (2 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-11597895-B2 Aromatic substance mixtures containing 8,8-dimethyl-6,10-dioxaspiro[4,5]decane TAS2R8, TRPM8, DHPS HCAR2 1193/4885CYP19A1 598/4885MMP1 3837/4885
US-20210087500-A1 AROMATIC SUBSTANCE MIXTURES CONTAINING 8,8-DIMETHYL-6,10-DIOXASPIRO[4,5]DECANE TAS2R8, TRPM8, DHPS HCAR2 1193/4885CYP19A1 598/4885MMP1 3837/4885

“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.