SCHEMBL10286178

SCHEMBL10286178

CCOc1cc(C)nc2c1CCCC2O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.38
ACHE P22303 1/20 0.37
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
S1PR1 P21453 5/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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 0.96 RXFP1 (0.34) UGT2B17ACHETSHRALOX15S1PR1
SCHEMBL10286332 0.86 ACHE (0.37) UGT2B17ACHETSHRALOX15S1PR1
SCHEMBL10286036 0.84 UGT2B17 (0.38) UGT2B17ACHE
SCHEMBL10286182 0.84 UGT2B17 (0.35) UGT2B17ACHETSHRMAPTKDM4E
SCHEMBL10287375 0.84 CNR2 (0.35) UGT2B17ACHE
SCHEMBL10286175 0.84 UGT2B17 (0.41) UGT2B17ACHEMAPTHTTKDM4E
SCHEMBL10286358 0.83 MCHR1 (0.34) UGT2B17ACHE
SCHEMBL10286335 0.82 ACHE (0.34) UGT2B17ACHETSHRALOX15S1PR1
SCHEMBL10286291 0.81 MAPT (0.34) UGT2B17ACHETSHRMAPTKDM4E
SCHEMBL10286296 0.81 UGT2B17 (0.34) UGT2B17ACHE

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 660/4885TSHR 4294/4885

“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.