SCHEMBL14420102

SCHEMBL14420102

CCCc1cccc(C(C)C(=O)OCOC(C)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
ALDH1A1 P00352 1/20 0.37
ALOX5 P09917 2/20 0.36
TLR7 Q9NYK1 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GLI1 P08151 1/20 0.34
GLI2 P10070 1/20 0.34

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
SCHEMBL14420108 0.92 PPARA (0.40) PTGS1PTGS2TLR7CYP4F2CYP4A11
SCHEMBL14420087 0.89 PTGS2 (0.45) PTGS1PTGS2ALDH1A1MEN1KMT2A
SCHEMBL14420060 0.83 PTGS1 (0.50) PTGS1PTGS2ALOX5TLR7CYP4F2
SCHEMBL2060445 0.78 PTGS2 (0.54) PTGS1PTGS2ALDH1A1ALOX5
SCHEMBL14420100 0.77 SLC7A5 (0.43) ALDH1A1ALOX5CYP4F2CYP4A11
SCHEMBL25812372 0.77 PTGS1 (0.44) PTGS1PTGS2ALDH1A1TLR7CYP4F2
SCHEMBL14420064 0.75 PTGS1 (0.48) PTGS1PTGS2TLR7CYP4F2CYP4A11
SCHEMBL14420075 0.75 TSHR (0.47) PTGS1PTGS2ALDH1A1ALOX5KMT2A
SCHEMBL6696949 0.73 ALDH1A1 (0.59) ALDH1A1ALOX5CYP4F2CYP4A11
SCHEMBL17083283 0.71 LOXL2 (0.45) PTGS1PTGS2

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 1192/4885PTGS2 1288/4885ALDH1A1 1017/4885

“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.