SCHEMBL10286147

SCHEMBL10286147

CCOc1ccnc2c1CCCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KMT2A Q03164 2/20 0.34
PARP1 P09874 2/20 0.33
AURKA O14965 1/20 0.33
IKBKB O14920 1/20 0.33
MEN1 O00255 1/20 0.33
CYP11B2 P19099 1/20 0.32

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
SCHEMBL526812 0.97 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDRXFP1
SCHEMBL10286198 0.84 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPT
SCHEMBL1699735 0.83 MAPT (0.33) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL10286613 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPT
SCHEMBL10286088 0.79 HTR2A (0.35) ALDH1A1KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL10286548 0.78 CYP3A4 (0.33)
SCHEMBL526092 0.77 SMN1; SMN2 (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDRXFP1
SCHEMBL10286174 0.76 NOS3 (0.36) ALDH1A1KDM4EHPGDKMT2APARP1
SCHEMBL10286107 0.76 RXFP1 (0.39) ALDH1A1KDM4ESMN1; SMN2HPGDRXFP1
SCHEMBL10286121 0.76 RXFP1 (0.42) ALDH1A1KDM4ESMN1; SMN2HPGDRXFP1

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 ALDH1A1 1110/4885KDM4E 1075/4885SMN1; SMN2 4477/4885

“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.