SCHEMBL10286128

SCHEMBL10286128

Cc1cc(CO)nc2c1CCCCC2O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.41
ACHE P22303 1/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL10287403 0.95 UGT2B17 (0.45) UGT2B17ACHENOS3NOS1NOS2
SCHEMBL10286099 0.85 ACHE (0.35) UGT2B17ACHE
SCHEMBL10286106 0.85 ACHE (0.37) UGT2B17ACHE
SCHEMBL10286103 0.84 ACHE (0.39) UGT2B17ACHE
SCHEMBL10286082 0.84 ACHE (0.42) UGT2B17ACHE
SCHEMBL10287014 0.83 UGT2B17 (0.45) UGT2B17ACHENOS3NOS1NOS2
SCHEMBL10286064 0.83 ACHE (0.34) UGT2B17ACHE
SCHEMBL10286181 0.83 ACHE (0.34) UGT2B17ACHE
SCHEMBL10287306 0.82 UGT2B17 (0.44) UGT2B17ACHE
SCHEMBL10286333 0.81 UGT2B17 (0.45) UGT2B17ACHENOS3NOS1NOS2

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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 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-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES MSR1, DDT, MPO UGT2B17 1446/4885ACHE 660/4885NOS3 239/4885

“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.