SCHEMBL4928083

SCHEMBL4928083

CCOC(=O)C(=COC(C)=O)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.57
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 6/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 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 4/20 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
SCHEMBL2466882 0.92 GLO1 (0.64) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL363409 0.84 GLO1 (0.46) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL363408 0.84 GLO1 (0.46) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL4920405 0.83 NPSR1 (0.52) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL6935316 0.83 ALDH1A1 (0.48) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL11104761 0.79 ALDH1A1 (0.44) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL28238687 0.79 ALDH1A1 (0.44) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL214459 0.77 NPSR1 (0.56) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL50838 0.77 NPSR1 (0.56) GLO1NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL18134015 0.76 GLO1 (0.50) GLO1NPSR1ALDH1A1LMNAHSD17B10

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 9 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
US-4600781-A 2-formyl-2-halomalonates and compound derived therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1986-07-15 US 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 GLO1 171/4885NPSR1 4097/4885ALDH1A1 152/4885
US-20240041752-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS AOX1, TYR, OCIAD1 GLO1 36/4885NPSR1 3248/4885ALDH1A1 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.