SCHEMBL10286285

SCHEMBL10286285

Cc1ccc2c(n1)C(O)CCCC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
USP2 O75604 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTT P42858 2/20 0.32
CACNA1B Q00975 2/20 0.31
APBA1 Q02410 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
UGT2B17 O75795 2/20 0.31
PDE2A O00408 1/20 0.31

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
SCHEMBL10287319 0.95 ACHE (0.38) ACHEIRAK4ALDH1A1KDM4ELMNA
SCHEMBL5111399 0.95 ACHE (0.38) ACHEIRAK4ALDH1A1KDM4ELMNA
SCHEMBL14884981 0.95 ACHE (0.38) ACHEIRAK4ALDH1A1KDM4ELMNA
SCHEMBL25888957 0.87 DRD2 (0.34) ACHEHTR2AHTR2CHTR2BKCNH2
SCHEMBL10286300 0.79 ACHE (0.35) ACHE
SCHEMBL15833701 0.78 ACHE (0.36) ACHEALDH1A1KCNH2UGT2B17
SCHEMBL10286308 0.77 CCR1 (0.36) ACHEHTR2AHTR2CHTR2B
SCHEMBL10286177 0.76 CTSK (0.36) ACHEKCNH2
SCHEMBL10286104 0.76 TRPV1 (0.35) ACHEIRAK4ALDH1A1KDM4ELMNA
SCHEMBL10286071 0.76 ACHE (0.32) ACHE

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 ACHE 660/4885IRAK4 1620/4885ALDH1A1 1110/4885

“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.