SCHEMBL21259201

SCHEMBL21259201

CCCC(=O)OC(COCC)COCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
PRKCA P17252 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCD Q05655 1/20 0.46
LPAR3 Q9UBY5 8/20 0.44
LPAR1 Q92633 5/20 0.44
ENPP2 Q13822 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LPAR2 Q9HBW0 3/20 0.43
LPAR6 P43657 1/20 0.40
LPAR4 Q99677 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40

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
SCHEMBL7038035 0.82 ALDH1A1 (0.43) LMNAALDH1A1MAPTMAPK1PRKCA
Tributyrin SCHEMBL23825 0.81 ALDH1A1 (0.72) LMNAALDH1A1PRKCAPRKCEPRKCQ
Tributyrin SCHEMBL601928 0.81 ALDH1A1 (0.72) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL13398485 0.81 ALDH1A1 (0.87) LMNAALDH1A1MAPTMAPK1PRKCA
SCHEMBL15369110 0.81 ALDH1A1 (0.87) LMNAALDH1A1MAPTMAPK1PRKCA
Tributyrin SCHEMBL17593578 0.80 ALDH1A1 (0.66) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL24444306 0.80 ALDH1A1 (0.65) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL24485672 0.80 LMNA (0.60) LMNAALDH1A1MAPTMAPK1PRKCA
Tributyrin SCHEMBL8206257 0.79 ALDH1A1 (0.70) LMNAALDH1A1PRKCAPRKCEPRKCQ
SCHEMBL21289215 0.79 ALDH1A1 (0.70) LMNAALDH1A1PRKCAPRKCEPRKCQ

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-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 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-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 LMNA 1238/4885ALDH1A1 1564/4885MAPT 4568/4885

“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.