SCHEMBL5954824

SCHEMBL5954824

COCC(=O)COC(=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.52
GAA P10253 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
TSHR P16473 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL27741667 0.80 MGAM (0.48) MGAMGAASIMGAM2KDM4E
SCHEMBL10001051 0.79 MGAM (0.67) MGAMGAASIMGAM2TSHR
SCHEMBL651636 0.79
SCHEMBL15745840 0.79 MGAM (0.57) MGAMGAASIMGAM2TSHR
SCHEMBL28295747 0.78 MGAM (0.46) MGAMGAASIMGAM2KDM4E
SCHEMBL13482020 0.77 ALDH1A1 (0.43) GAATSHRLMNAALDH1A1HSD17B10
SCHEMBL2759397 0.77 MGAM (0.62) MGAMGAASIMGAM2TSHR
SCHEMBL626926 0.75
SCHEMBL14022135 0.75 MGAM (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL28694750 0.74 FAAH (0.43) MGAMGAASIMGAM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-20 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 (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-20060160801-A1 Pyrimidinone derivaties as therapeutic agents against acute and chronic inflammatory, ischaemic and remodelling processes PTGIS, PTGIR, FPR1 MGAM 4680/4885GAA 3327/4885SI 4226/4885

“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.