SCHEMBL10286293

SCHEMBL10286293

Cc1cc(C2CC2)c2c(n1)C(O)CCC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.45
ACHE P22303 1/20 0.40
CHRM4 P08173 2/20 0.33
HTT P42858 1/20 0.33
UHRF1 Q96T88 1/20 0.32
PSMB5 P28074 1/20 0.31
ELAVL1 Q15717 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14885013 0.95 UGT2B17 (0.44) UGT2B17ACHECHRM4HTTUHRF1
SCHEMBL10286322 0.94 UGT2B17 (0.43) UGT2B17ACHECHRM4HTTUHRF1
SCHEMBL527248 0.83 UGT2B17 (0.50) UGT2B17ACHECHRM4HTTUHRF1
SCHEMBL10286080 0.81 UGT2B17 (0.44) UGT2B17ACHEHTTUHRF1ELAVL1
SCHEMBL10286287 0.79 UGT2B17 (0.42) UGT2B17ACHEHTTUHRF1KDM4E
SCHEMBL10286284 0.79 UGT2B17 (0.42) UGT2B17ACHEHTTUHRF1KDM4E
SCHEMBL10286371 0.79 UGT2B17 (0.42) UGT2B17ACHEHTTUHRF1KDM4E
SCHEMBL526851 0.79 ACHE (0.44) UGT2B17ACHEHTTUHRF1KDM4E
SCHEMBL10286309 0.79 ACHE (0.48) UGT2B17ACHECHRM4HTTUHRF1
SCHEMBL10286333 0.79 UGT2B17 (0.45) UGT2B17ACHECHRM4HTTUHRF1

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 660/4885CHRM4 299/4885

“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.