SCHEMBL10286382

SCHEMBL10286382

Cc1cc(-c2ccc(Cl)cc2Cl)c2c(n1)C(O)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HSD11B1 P28845 1/20 0.38
CNR1 P21554 6/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
CNR2 P34972 3/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
ACHE P22303 1/20 0.36
OPRL1 P41146 1/20 0.36

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
SCHEMBL10286341 0.82 ACHE (0.38) HPGDCNR2ACHE
SCHEMBL10286055 0.81 HRH2 (0.41) MAPTHPGDACHE
SCHEMBL10286305 0.81 ACHE (0.36) ACHE
SCHEMBL10286194 0.80 ACHE (0.40) ACHE
SCHEMBL10286067 0.78 ACHE (0.41) HPGDCNR2ACHE
SCHEMBL10286349 0.77 ACHE (0.45) MAPTHPGDACHE
SCHEMBL10286098 0.77 ACHE (0.39) ACHE
SCHEMBL10286344 0.77 ACHE (0.40) MAPTACHE
SCHEMBL526851 0.76 ACHE (0.44) ACHE
SCHEMBL10286333 0.75 UGT2B17 (0.45) MAPTHPGDACHE

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 CRHR1 4180/4885HSP90AA1 3488/4885HSP90AB1 3704/4885

“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.