SCHEMBL1486542

SCHEMBL1486542

CC(C)(O)Cn1cnc2cnc3cc(OCc4ccccc4)ccc3c21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.46
GRM4 Q14833 1/20 0.43
MAOB P27338 3/20 0.41
ACSS2 Q9NR19 1/20 0.39
CYP3A4 P08684 1/20 0.39
KIT P10721 1/20 0.39
NMT1 P30419 5/20 0.39
NMT2 O60551 2/20 0.39
DYRK1A Q13627 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KDR P35968 1/20 0.38
KMT2A Q03164 1/20 0.38
P4HTM Q9NXG6 1/20 0.38

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
SCHEMBL27661085 0.84 TLR7 (0.43) TLR7MAOBCYP3A4NMT1
SCHEMBL3868134 0.84 TLR7 (0.48) TLR7
SCHEMBL29463868 0.82 ACSS2 (0.46) TLR7MAOBACSS2CYP3A4MEN1
SCHEMBL18638556 0.82 ACSS2 (0.46) TLR7MAOBACSS2CYP3A4MEN1
SCHEMBL1486435 0.82 TLR7 (0.70) TLR7ACSS2CYP3A4
SCHEMBL1486498 0.81 LTA4H (0.47) GRM4MEN1MAPTKMT2A
SCHEMBL18638451 0.80 ACSS2 (0.51) TLR7MAOBACSS2CYP3A4DYRK1A
SCHEMBL1486482 0.80 MAOB (0.41) TLR7GRM4MAOBACSS2CYP3A4
SCHEMBL9387631 0.79 TLR7 (0.61) TLR7MAPT
Water SCHEMBL10743629 0.78 TLR7 (0.60) TLR7MAPT

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 9 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
US-7897597-B2 Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1658076-A4 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2009-02-25 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US disclosed
CN-1842336-A Aryloxy and arylalkyleneoxy substituted imidazoquinolines 3M INNOVATIVE PROPERTIES CO (US) 2006-10-04 CN disclosed
EP-1658076-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2006-05-24 EP disclosed
WO-2005020999-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-10 WO 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 (2 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 TLR7 45/4885GRM4 2290/4885MAOB 3487/4885
US-20110144099-A1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES IL2, IFNG, IRF3 TLR7 42/4885GRM4 1819/4885MAOB 3039/4885

“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.