SCHEMBL10286102

SCHEMBL10286102

Nc1ccnc2c1CCCCC2O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRD3 Q15059 1/20 0.30
UGT2B17 O75795 2/20 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
SCHEMBL8055338 0.88 EPAS1 (0.37) ACHENOS3NOS1NOS2
SCHEMBL10286119 0.81 UGT2B17 (0.38) ACHENOS3NOS1NOS2ALDH1A1
SCHEMBL14884984 0.80 ACHE (0.39) ACHENOS3NOS1NOS2
SCHEMBL30667065 0.80 ACHE (0.39) ACHENOS3NOS1NOS2
SCHEMBL10286199 0.76 ADRA1A (0.39) ACHE
SCHEMBL10286141 0.76 HTR2A (0.38) ACHENOS3NOS1NOS2TSHR
SCHEMBL8784135 0.76 UGT2B17 (0.42) ACHENOS3NOS1NOS2KCNH2
SCHEMBL30640696 0.76 UGT2B17 (0.42) ACHENOS3NOS1NOS2KCNH2
SCHEMBL10287354 0.76 ACHE (0.41) ACHENOS3NOS1NOS2BRD3
SCHEMBL10286117 0.75 ACHE (0.42) ACHEBRD3

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 2 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
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 ACHE 660/4885NOS3 239/4885NOS1 209/4885

“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.