SCHEMBL4489180

SCHEMBL4489180

CC(C)CC(=O)OCOC(=O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PRKCA P17252 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
GLA P06280 1/20 0.35
CA2 P00918 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL4489177 0.89 MGAM (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL16996650 0.86 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL37772 0.81 LDHA (0.50) MGAMGAASIMGAM2LDHA
SCHEMBL26462636 0.78 MGAM (0.48) MGAMGAASIMGAM2LDHA
SCHEMBL1007583 0.77 TSHR (0.45) ALDH1A1TDP1L3MBTL1MGAMGAA
SCHEMBL12639806 0.77 ALDH1A1 (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL16017785 0.77 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
Butane SCHEMBL788832 0.77 MGAM (0.48) ALDH1A1TDP1MGAMGAASI
Ethylene SCHEMBL3568811 0.76 LDHA (0.44) MGAMGAASIMGAM2LDHA
Ethylene SCHEMBL11358576 0.76 LDHA (0.44) MGAMGAASIMGAM2LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US claimed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US claimed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP claimed
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP 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-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 MMP1 600/4885MMP2 649/4885MMP3 713/4885

“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.