SCHEMBL2052426

SCHEMBL2052426

C#CCN(CC=CC(=O)OC)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
KDM1A O60341 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL2052421 1.00 CA14 (0.33) CA14KEAP1NFE2L2HCAR2HDAC6
SCHEMBL14617835 0.79 CA14 (0.36) CA14KEAP1NFE2L2HCAR2HDAC6
SCHEMBL1207293 0.78 CA14 (0.39) CA14HDAC6KCNQ4KCNQ5
SCHEMBL4872179 0.78 DPP4 (0.39) CA14HDAC6KCNQ4KCNQ5
SCHEMBL8644916 0.77 CA14 (0.40) CA14HDAC6KCNQ4KCNQ5
SCHEMBL8644921 0.77 CA14 (0.40) CA14HDAC6KCNQ4KCNQ5
SCHEMBL4864506 0.77 HDAC6 (0.31) HDAC6
SCHEMBL15156121 0.76 HCAR2 (0.39) CA14KEAP1NFE2L2HCAR2HDAC6
SCHEMBL14924273 0.76 HCAR2 (0.39) CA14KEAP1NFE2L2HCAR2HDAC6
SCHEMBL26498473 0.76 HCAR2 (0.41) KEAP1NFE2L2HCAR2

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
US-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2013-05-09 US disclosed
EP-2516403-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS Imperial Innovations Limited (GB) 2012-10-31 EP disclosed
WO-2011077095-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS IMPERIAL INNOVATIONS LIMITED (GB) 2011-06-30 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 (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-20130116206-A1 QUINOLINE DERIVATIVES USED AS PET IMAGING AGENTS ERBB2, EGFR, ERBB4 CA14 931/4885KEAP1 1469/4885NFE2L2 513/4885

“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.