SCHEMBL3397405

SCHEMBL3397405

CC1(C)CCCC(CCOC(C)(C)C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.34
GAA P10253 1/20 0.31
NAAA Q02083 2/20 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
SCHEMBL755694 0.83 CYP4F2 (0.35)
SCHEMBL28336932 0.80 ARG1 (0.33) ARG1
SCHEMBL29279718 0.79
SCHEMBL16246786 0.79 GAA (0.32) ARG1GAA
SCHEMBL16246785 0.79 ARG1 (0.30) ARG1
SCHEMBL755695 0.79
SCHEMBL17634010 0.79
SCHEMBL23832179 0.77
SCHEMBL17294074 0.77
SCHEMBL17629482 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN S.A. (CH) 2014-12-04 US claimed
WO-2013053102-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-04-18 WO claimed
US-20100152083-A1 Perfume Systems PROCTER & GAMBLE COMPANY, THE 2010-06-17 US claimed
CN-117836397-A Smell cancellation 奇华顿股份有限公司 2024-04-05 CN disclosed
CN-111836667-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2024-02-23 CN disclosed
CN-110520513-B Fragrance mixture comprising tricyclo [5.2.1.0] -decane-8-ethyl ether 西姆莱斯有限公司 2024-01-09 CN disclosed
EP-2766333-B1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN SA (CH) 2018-08-29 EP disclosed
US-9701606-B2 Process for the preparation of methoxymelonal GIVAUDAN S.A. (CH) 2017-07-11 US disclosed
EP-2366014-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2015-11-04 EP disclosed
US-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN S.A. (CH) 2014-12-04 US disclosed
WO-2013053102-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-04-18 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 (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-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL MSMO1, CYP17A1, CYP51A1 ARG1 4023/4885GAA 3579/4885NAAA 2609/4885

“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.