SCHEMBL10286038

SCHEMBL10286038

Cc1cc(OC2CCCC2)c2c(n1)C(O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.38
ACHE P22303 1/20 0.37
GRM5 P41594 8/20 0.36
MCHR1 Q99705 2/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
HTT P42858 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL10286175 0.84 UGT2B17 (0.41) UGT2B17ACHEHTT
SCHEMBL10286319 0.83 MAPT (0.36) UGT2B17ACHEPDGFRBPDGFRAHTT
SCHEMBL10287360 0.82 UGT2B17 (0.37) UGT2B17ACHE
SCHEMBL10286178 0.81 UGT2B17 (0.38) UGT2B17ACHEHTT
SCHEMBL14885017 0.81 UGT2B17 (0.38) UGT2B17ACHEHTT
SCHEMBL10286314 0.80 RXFP1 (0.34) UGT2B17ACHEHTT
SCHEMBL527248 0.79 UGT2B17 (0.50) UGT2B17ACHEHTT
SCHEMBL10286358 0.77 MCHR1 (0.34) UGT2B17ACHEMCHR1
SCHEMBL527120 0.77 ACHE (0.46) UGT2B17ACHEHTT
SCHEMBL10286333 0.77 UGT2B17 (0.45) UGT2B17ACHEHTT

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 660/4885GRM5 1648/4885

“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.