SCHEMBL14420100

SCHEMBL14420100

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
ALDH1A1 P00352 2/20 0.41
YWHAG P61981 1/20 0.41
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PAM P19021 1/20 0.39
ALOX5 P09917 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
NLRP3 Q96P20 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL14420107 0.91 PPARA (0.46) SLC7A5ALDH1A1YWHAGPPARGPPARA
SCHEMBL14420170 0.89 YWHAG (0.42) SLC7A5ALDH1A1YWHAGMAPK1L3MBTL1
SCHEMBL14420143 0.89 ALDH1A1 (0.53) SLC7A5ALDH1A1YWHAGMAPK1L3MBTL1
SCHEMBL14420058 0.88 SLC7A5 (0.44) SLC7A5ALDH1A1MAPK1L3MBTL1PAM
SCHEMBL2630609 0.86 PPARA (0.51) SLC7A5ALDH1A1YWHAGMAPK1L3MBTL1
SCHEMBL6696949 0.81 ALDH1A1 (0.59) ALDH1A1PPARGPPARAALOX5CYP4F2
SCHEMBL14420123 0.81 SLC7A5 (0.57) SLC7A5ALDH1A1CYP4F2CYP4A11NLRP3
SCHEMBL14420169 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1PPARGPPARA
SCHEMBL14420220 0.81 PPARA (0.47) ALDH1A1YWHAGPPARGPPARACYP4F2
SCHEMBL17928599 0.79 ALDH1A1 (0.63) ALDH1A1MAPK1L3MBTL1PAMALOX5

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 SLC7A5 520/4885ALDH1A1 1017/4885YWHAG 3139/4885

“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.