SCHEMBL1961220

SCHEMBL1961220

CCOCc1nc2c(c3cc(OCc4cccc(C(=O)OC)c4)ccc3n3nnnc23)n1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.39
CYP26A1 O43174 1/20 0.38
CYP3A4 P08684 1/20 0.38
TLR7 Q9NYK1 5/20 0.37
CNR2 P34972 1/20 0.36
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
PRKDC P78527 1/20 0.35
ABCG2 Q9UNQ0 4/20 0.35
PLA2G2A P14555 1/20 0.35
TLR8 Q9NR97 2/20 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
SCHEMBL1960990 0.87 TLR7 (0.42) TLR7TLR8
SCHEMBL1959277 0.79 TLR7 (0.47) TLR7CNR2TLR8
SCHEMBL1486644 0.75 TLR7 (0.54) MRGPRX4TLR7PLA2G2ATLR8
SCHEMBL12315583 0.69 TLR7 (0.56) TLR7TLR8
SCHEMBL1486567 0.68 TLR7 (0.62) TLR7TLR8
SCHEMBL1486466 0.67 TLR7 (0.66) TLR7TLR8
SCHEMBL1486476 0.67 TLR7 (0.60) TLR7TLR8
SCHEMBL1486469 0.66 TLR7 (0.65) TLR7TLR8
SCHEMBL1486458 0.66 TLR7 (0.61) TLR7TLR8
SCHEMBL1486528 0.66 TLR7 (0.69) TLR7TLR8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-8263594-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-09-11 US disclosed
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2011-06-16 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-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 MRGPRX4 189/4885CYP26A1 593/4885CYP3A4 1056/4885

“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.