SCHEMBL526715

SCHEMBL526715

CCOc1cc[n+]([O-])c2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.36
KDM4E B2RXH2 6/20 0.36
MAPT P10636 5/20 0.33
HPGD P15428 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 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
SCHEMBL23782700 0.81 ADRA1A (0.37) ALDH1A1KDM4EHPGD
SCHEMBL17144450 0.78 ADRA1A (0.37) ALDH1A1KDM4EMAPTHPGD
SCHEMBL9449696 0.73 CCR5 (0.30)
SCHEMBL21485338 0.71 ADRA1A (0.32) GPR84
SCHEMBL8263271 0.68 PARP1 (0.34)
SCHEMBL19249309 0.67 RXRG (0.51) ALDH1A1KDM4EMAPTHPGDRXFP1
SCHEMBL7396044 0.66 RXRA (0.52) ALDH1A1MEN1KMT2A
SCHEMBL12251522 0.65 RXRG (0.53) ALDH1A1KDM4EMAPTRXFP1MEN1
SCHEMBL16420393 0.65 GPR84 (0.32) GPR84
SCHEMBL526092 0.65 SMN1; SMN2 (0.43) ALDH1A1KDM4EMAPTHPGDRXFP1

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 8 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
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
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

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 ALDH1A1 1110/4885KDM4E 1075/4885MAPT 4719/4885
US-20140162980-A1 NOVEL MICROBIOCIDAL DIOXIME ETHER DERIVATIVES PRDX4, PRDX6, DDT ALDH1A1 1961/4885KDM4E 428/4885MAPT 4671/4885

“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.