SCHEMBL10286115

SCHEMBL10286115

COc1cc2c(nc1C)C(=O)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HSD17B1 P14061 1/20 0.36
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 2/20 0.35
MAOA P21397 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.34
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34

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
SCHEMBL10286580 0.97 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10HSD17B1
SCHEMBL10286208 0.83 KDM4E (0.37) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL10286156 0.80 NPC1 (0.34) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL10286111 0.79 MAOB (0.33) MAOAKMT2AMEN1
SCHEMBL10286474 0.76 KDM4E (0.33) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL5117887 0.76 NPC1 (0.53) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7902989 0.76 ACHE (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL10286109 0.75 HSD17B1 (0.34) KDM4EHSD17B1MAOA
SCHEMBL10286542 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10HSD17B1
SCHEMBL10286209 0.74 NPC1 (0.30) HPGDMAPTNPC1SMN1; SMN2

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 1075/4885HPGD 1600/4885

“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.