SCHEMBL14420104

SCHEMBL14420104

CCCCc1cc(CC(=O)OC)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.54
GPR84 Q9NQS5 2/20 0.50
HSP90AB1 P08238 1/20 0.49
CNR1 P21554 11/20 0.46
CNR2 P34972 9/20 0.46
GLS O94925 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL16050682 0.87 GPR84 (0.66) PTGS2GPR84HSP90AB1CYP4F2CYP4A11
SCHEMBL14420070 0.83 HSP90AB1 (0.55) HSP90AB1GLSCYP4F2CYP4A11
SCHEMBL348963 0.83 HSP90AB1 (0.62) HSP90AB1GLSCYP4F2CYP4A11
SCHEMBL1628911 0.81 HSP90AB1 (0.67) PTGS2GPR84HSP90AB1CNR1CNR2
SCHEMBL14420121 0.79 SLC7A5 (0.55) HSP90AB1CYP4F2CYP4A11
SCHEMBL9279920 0.79 PTGS2 (0.67) PTGS2CNR1CNR2
SCHEMBL16955432 0.78 PTGS2 (0.62) PTGS2GPR84CNR1CNR2
SCHEMBL27473665 0.78 CYP4F2 (0.68) CYP4F2CYP4A11
SCHEMBL14626264 0.78 HSP90AB1 (0.51) HSP90AB1CYP4F2CYP4A11
SCHEMBL21891794 0.77 HSP90AB1 (0.75) HSP90AB1CYP4F2CYP4A11

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 PTGS2 1288/4885GPR84 118/4885HSP90AB1 4424/4885

“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.