SCHEMBL5517025

SCHEMBL5517025

CCC(=O)C(C(=O)O)=C(C)OC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
FFAR3 O14843 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CES2 O00748 2/20 0.31
CES1 P23141 2/20 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
SCHEMBL5517022 1.00 ALDH1A1 (0.33) ALDH1A1FFAR3TDP1MGAMGAA
SCHEMBL5515832 0.82 ALDH1A1 (0.37) ALDH1A1TDP1MGAMGAASI
SCHEMBL5515827 0.82 ALDH1A1 (0.37) ALDH1A1TDP1MGAMGAASI
SCHEMBL20476376 0.80 ALDH1A1 (0.42) ALDH1A1FFAR3TDP1MGAMGAA
SCHEMBL20476375 0.80 ALDH1A1 (0.42) ALDH1A1FFAR3TDP1MGAMGAA
SCHEMBL23574259 0.80 ALDH1A1 (0.42) ALDH1A1FFAR3TDP1MGAMGAA
SCHEMBL5511770 0.75 ALDH1A1 (0.40) ALDH1A1FFAR3TDP1MGAMGAA
SCHEMBL18304970 0.75 ALDH1A1 (0.40) ALDH1A1FFAR3TDP1MGAMGAA
SCHEMBL5511768 0.75 ALDH1A1 (0.40) ALDH1A1FFAR3TDP1MGAMGAA
SCHEMBL455415 0.73 ALDH1A1 (0.42) ALDH1A1FFAR3TDP1MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161024-B2 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION (US) 2007-01-09 US disclosed
EP-1644313-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2006-04-12 EP disclosed
US-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters SCHERING CORPORATION 2005-02-03 US disclosed
WO-2005007608-A2 PROCESS FOR THE PREPARATION AND PURIFICATION OF 2-(ALKOXYALKYLIDENE)-3-KETOALKANOIC ACID ESTERS FROM 3-KETOALKANOIC ACID ESTERS SCHERING CORPORATION (US) 2005-01-27 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 (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-20050027140-A1 Process for the preparation and purification of 2-(alkoxyalkylidene)-3-ketoalkanoic acid esters from 3-ketoalkanoic acid esters ACKR3, CCR5, CCRL2 ALDH1A1 437/4885FFAR3 12/4885TDP1 3676/4885

“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.