SCHEMBL4920405

SCHEMBL4920405

CCOC(=O)OC=C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.52
GLO1 Q04760 1/20 0.52
ALDH1A1 P00352 4/20 0.50
SOAT1 P35610 1/20 0.46
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
LMNA P02545 4/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DHODH Q02127 2/20 0.40
GAA P10253 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLIN1 O60240 1/20 0.38

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
SCHEMBL4928083 0.83 GLO1 (0.57) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL14775480 0.77 ALDH1A1 (0.55) NPSR1GLO1ALDH1A1SOAT1CYP2D6
SCHEMBL50838 0.77 NPSR1 (0.56) NPSR1GLO1ALDH1A1SOAT1CYP2D6
SCHEMBL214459 0.77 NPSR1 (0.56) NPSR1GLO1ALDH1A1SOAT1CYP2D6
SCHEMBL2466882 0.75 GLO1 (0.64) NPSR1GLO1ALDH1A1CYP2D6SMN1; SMN2
SCHEMBL13947154 0.74 ALDH1A1 (0.56) NPSR1GLO1ALDH1A1SOAT1SMN1; SMN2
SCHEMBL21750379 0.74 ALDH1A1 (0.63) NPSR1GLO1ALDH1A1SOAT1CYP2D6
SCHEMBL21809422 0.74 ALDH1A1 (0.63) NPSR1GLO1ALDH1A1SOAT1CYP2D6
SCHEMBL15273109 0.74 GLO1 (0.77) NPSR1GLO1ALDH1A1SOAT1CYP2D6
SCHEMBL13269051 0.74 NPSR1 (0.62) NPSR1GLO1ALDH1A1SOAT1CYP2D6

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
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 US claimed
US-20240041752-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-02-08 US disclosed
EP-4288022-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-12-13 EP disclosed
WO-2022167123-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2022-08-11 WO disclosed
EP-4039244-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2022-08-10 EP disclosed
US-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour GIVAUDAN SA (CH) 2008-12-11 US disclosed
EP-1838278-A1 2-C-SUBSTITUTED PROPANE-1,3-DICARBONYL COMPOUNDS AND THEIR USE IN NEUTRALISING MALODOUR Givaudan SA (CH) 2007-10-03 EP disclosed
WO-2006076821-A1 2 -C-SUBSTITUTED PROPANE-1, 3 -DICARBONYL COMPOUNDS AND THEIR USE IN NEUTRALISING MALODOUR GIVAUDAN SA (CH) 2006-07-27 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 (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-20080305066-A1 2-C-Substituted Propane-1,3-Dicarbonyl Compounds and Their Use in Neutralising Malodour TYR, MAL2, ACMSD NPSR1 4097/4885GLO1 171/4885ALDH1A1 152/4885
US-20240041752-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AOX1, TYR, OCIAD1 NPSR1 3248/4885GLO1 36/4885ALDH1A1 116/4885

“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.