SCHEMBL14420064

SCHEMBL14420064

CCCCc1cccc(C(C)C(=O)OC(C)OC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
PGR P06401 1/20 0.48
PDE4A P27815 1/20 0.48
PPARA Q07869 7/20 0.39
PPARG P37231 5/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
PTGS2 P35354 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL14420060 0.92 PTGS1 (0.50) PTGS1PGRPDE4ACYP4F2CYP4A11
SCHEMBL14420108 0.84 PPARA (0.40) PTGS1PPARAPPARGCYP4F2CYP4A11
SCHEMBL25812372 0.82 PTGS1 (0.44) PTGS1PPARAPPARGCYP4F2CYP4A11
SCHEMBL27937246 0.81 PPARA (0.44) PPARAPPARGCYP4F2CYP4A11LPL
SCHEMBL14420084 0.80 TSHR (0.43) PPARAPPARGLPLLIPG
SCHEMBL19542673 0.77 LPL (0.49) PPARAPPARGLPLLIPGCYSLTR2
SCHEMBL14420102 0.75 PTGS1 (0.39) PTGS1CYP4F2CYP4A11TLR7PTGS2
SCHEMBL14420217 0.75 PTGS2 (0.43) PTGS1PGRPDE4APTGS2CYP2D6
SCHEMBL290381 0.74 PPARA (0.51) PTGS1PPARAPPARGLPLLIPG
SCHEMBL18241996 0.72 LPL (0.44) PPARAPPARGLPLLIPGCYSLTR2

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-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 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-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 PTGS1 1192/4885PGR 3457/4885PDE4A 402/4885

“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.