SCHEMBL21259352

SCHEMBL21259352

CCC(COCCN)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
PRKD3 O94806 2/20 0.38
PRKCG P05129 2/20 0.38
PRKCB P05771 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCH P24723 2/20 0.38
PRKCI P41743 2/20 0.38
PRKCE Q02156 2/20 0.38
PRKCQ Q04759 2/20 0.38
PRKCZ Q05513 2/20 0.38
PRKCD Q05655 2/20 0.38
PRKD1 Q15139 2/20 0.38
LPAR1 Q92633 5/20 0.37
LPAR3 Q9UBY5 5/20 0.37
LPAR6 P43657 3/20 0.37
LPAR4 Q99677 3/20 0.37
LPAR5 Q9H1C0 3/20 0.37
LPAR2 Q9HBW0 3/20 0.37
HTT P42858 1/20 0.34
PLA2G2C Q5R387 1/20 0.31

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
SCHEMBL30891797 0.85 PRKD3 (0.42) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL19577726 0.84 PRKD3 (0.44) CYP3A4PRKD3PRKCGPRKCBPRKCA
Hydrochloric Acid SCHEMBL3512165 0.82 PRKD3 (0.38) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL15780380 0.81 HSD17B10 (0.46) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL18623589 0.81 PRKD3 (0.53) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL6618667 0.81 HSD17B10 (0.46) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL23888739 0.80 PRKD3 (0.36) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL14139586 0.79 PRKD3 (0.52) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL27466717 0.79 PRKD3 (0.39) CYP3A4PRKD3PRKCGPRKCBPRKCA
SCHEMBL14587068 0.77 PRKD3 (0.38) PRKD3PRKCGPRKCBPRKCAPRKCH

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 CYP3A4 397/4885PRKD3 2954/4885PRKCG 3942/4885

“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.