SCHEMBL4490988

SCHEMBL4490988

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
FFAR3 O14843 1/20 0.31
EPHX2 P34913 1/20 0.31
PPARG P37231 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
RAB9A P51151 1/20 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
SCHEMBL4490991 0.89 MGAM (0.50) MGAMGAASIMGAM2CA2
SCHEMBL27994610 0.81 CA2 (0.39) MGAMGAASIMGAM2CA2
Butane SCHEMBL788832 0.80 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL37772 0.79 LDHA (0.50) MGAMGAASIMGAM2TSHR
SCHEMBL26462636 0.77 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL12044965 0.76 CA2 (0.38) CA2CA1ALDH1A1TSHRUSP2
Potassium SCHEMBL29692205 0.75 GAA (0.70) MGAMGAASIMGAM2ALDH1A1
SCHEMBL7450805 0.75 USP2 (0.50) MGAMGAASIMGAM2CA2
Ethylene SCHEMBL3568811 0.74 LDHA (0.44) MGAMGAASIMGAM2TSHR
Ethylene SCHEMBL11358576 0.74 LDHA (0.44) MGAMGAASIMGAM2TSHR

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 MGAM 4/4885GAA 12/4885SI 2/4885

“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.