SCHEMBL4487325

SCHEMBL4487325

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP19A1 P11511 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
PPARG P37231 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC22A1 O15245 1/20 0.33
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33
EPHX2 P34913 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL4487328 0.91 PKM (0.41) PKMMAPK1HSD17B10CYP19A1CA12
SCHEMBL6635716 0.87 CYP19A1 (0.46) PKMMAPK1HSD17B10CYP19A1CA12
Butane SCHEMBL6828567 0.81 CYP19A1 (0.42) PKMMAPK1HSD17B10CYP19A1CA12
Bicarbonate SCHEMBL28723134 0.80 CA1 (0.46) PKMMAPK1HSD17B10CYP19A1CA12
SCHEMBL610682 0.80 CA1 (0.50) PKMMAPK1HSD17B10CYP19A1CA12
SCHEMBL17075163 0.80 CA1 (0.50) PKMMAPK1HSD17B10CYP19A1CA12
SCHEMBL305153 0.76 MAPK1 (0.47) PKMMAPK1HSD17B10CYP19A1CA12
SCHEMBL2267201 0.76 CYP19A1 (0.50) PKMMAPK1HSD17B10CYP19A1CA12
SCHEMBL4479713 0.76 TSHR (0.35) GAALMNA
SCHEMBL4489180 0.75 MMP1 (0.44) MAPK1CA2TDP1ALDH1A1GAA

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 PKM 300/4885MAPK1 524/4885HSD17B10 136/4885

“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.