SCHEMBL527090

SCHEMBL527090

Cc1cc(N2CCCC2)c2c(n1)C(O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.40
UGT2B17 O75795 2/20 0.39
ACHE P22303 1/20 0.38
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPY5R Q15761 1/20 0.34
GBA1 P04062 4/20 0.33
GRM2 Q14416 1/20 0.33
CHRM4 P08173 2/20 0.33
MAPT P10636 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
SCHEMBL10286186 0.96 NCF1 (0.40) NCF1UGT2B17ACHEKDM4EHSD17B10
SCHEMBL10286134 0.94 NCF1 (0.42) NCF1UGT2B17ACHEKDM4EHSD17B10
SCHEMBL10286315 0.84 ACHE (0.39) UGT2B17ACHE
SCHEMBL10286275 0.82 ACHE (0.40) UGT2B17ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL10287369 0.81 ACHE (0.36) UGT2B17ACHEGBA1GRM2
SCHEMBL527248 0.80 UGT2B17 (0.50) UGT2B17ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL27905710 0.80 ALDH1A1 (0.38) NCF1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL10286290 0.79 HCRTR1 (0.38) UGT2B17ACHE
SCHEMBL10286133 0.78 ACHE (0.36) UGT2B17ACHEKDM4EHSD17B10ALDH1A1
SCHEMBL10286301 0.78 ALDH1A1 (0.37) UGT2B17ACHEKDM4EHSD17B10ALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2014-06-12 US disclosed
EP-2598487-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-06-05 EP disclosed
EP-2588456-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES Syngenta Participations AG (CH) 2013-05-08 EP disclosed
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
US-20130102631-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2013-04-25 US disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012013754-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-02-02 WO disclosed
WO-2012001040-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-05 WO 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 (2 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 NCF1 719/4885UGT2B17 1446/4885ACHE 660/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT NCF1 1384/4885UGT2B17 1733/4885ACHE 736/4885

“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.