SCHEMBL10286358

SCHEMBL10286358

Cc1cc(OCC2CC2)c2c(n1)C(O)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.34
GRM2 Q14416 2/20 0.34
XDH P47989 2/20 0.34
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33
RBP4 P02753 2/20 0.33
CNR2 P34972 2/20 0.33
BRD4 O60885 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CDK2 P24941 1/20 0.33
UGT2B17 O75795 2/20 0.33
ACHE P22303 1/20 0.33
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32

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
SCHEMBL10286314 0.87 RXFP1 (0.34) UGT2B17ACHE
SCHEMBL10286178 0.83 UGT2B17 (0.38) UGT2B17ACHE
SCHEMBL10286291 0.82 MAPT (0.34) UGT2B17ACHE
SCHEMBL10286296 0.82 UGT2B17 (0.34) UGT2B17ACHE
SCHEMBL10286319 0.82 MAPT (0.36) UGT2B17ACHE
SCHEMBL10286182 0.79 UGT2B17 (0.35) UGT2B17ACHE
SCHEMBL10287375 0.79 CNR2 (0.35) GRM2CNR2UGT2B17ACHE
SCHEMBL10286036 0.79 UGT2B17 (0.38) UGT2B17ACHE
SCHEMBL10286175 0.78 UGT2B17 (0.41) UGT2B17ACHE
SCHEMBL10286038 0.77 UGT2B17 (0.38) MCHR1UGT2B17ACHE

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 MCHR1 722/4885GRM2 693/4885XDH 137/4885

“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.