SCHEMBL10286336

SCHEMBL10286336

Cc1cc(C#N)c2c(n1)C(O)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.41
ACHE P22303 1/20 0.40
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 10/20 0.37
KDM4E B2RXH2 7/20 0.37
HSD17B10 Q99714 4/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 3/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPAS1 Q99814 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 2/20 0.33

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
SCHEMBL527248 0.83 UGT2B17 (0.50) UGT2B17ACHEALDH1A1KDM4EHSD17B10
SCHEMBL10286324 0.82 UGT2B17 (0.36) UGT2B17ACHEALDH1A1KDM4EHSD17B10
SCHEMBL10286080 0.81 UGT2B17 (0.44) UGT2B17ACHEALDH1A1KDM4EHSD17B10
SCHEMBL10286287 0.79 UGT2B17 (0.42) UGT2B17ACHEALDH1A1KDM4EHSD17B10
SCHEMBL526851 0.79 ACHE (0.44) UGT2B17ACHEALDH1A1KDM4EHSD17B10
SCHEMBL10286309 0.79 ACHE (0.48) UGT2B17ACHEALDH1A1KDM4EHRH3
SCHEMBL10286371 0.79 UGT2B17 (0.42) UGT2B17ACHECYP11B1CYP11B2ALDH1A1
SCHEMBL10286284 0.79 UGT2B17 (0.42) UGT2B17ACHEALDH1A1KDM4EHSD17B10
SCHEMBL10286333 0.79 UGT2B17 (0.45) UGT2B17ACHEALDH1A1KDM4EHSD17B10
SCHEMBL14885011 0.78 UGT2B17 (0.41) UGT2B17ACHEALDH1A1KDM4EHSD17B10

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 660/4885CYP11B1 738/4885

“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.