SCHEMBL10286807

SCHEMBL10286807

CN(C)c1c2c(nc3ccccc13)C(O)CCC2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ BRD3 Q15059 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ BCHE P06276 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10286853 0.86 ACHE (0.61) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL527961 0.82 ACHE (0.70) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10287318 0.81 ACHE (0.74) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10286817 0.80 ACHE (0.67) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL9547658 0.79 ACHE (0.74) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10286858 0.79 ACHE (0.70) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10286450 0.79 ACHE (0.70) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10286449 0.79 ACHE (0.70) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL9547692 0.79 ACHE (1.00) ACHEALDH1A1CYP1A2CYP2C9TSHR
SCHEMBL10286814 0.78 ACHE (0.65) ACHEALDH1A1CYP1A2CYP2C9TSHR

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 660/4885ALDH1A1 1110/4885CYP1A2 69/4885

“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.

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