SCHEMBL10287016

SCHEMBL10287016

CCc1ccc2c(n1)C(O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.38
UGT2B17 O75795 2/20 0.33
BRD3 Q15059 1/20 0.33
CXCR4 P61073 1/20 0.30
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NR3C1 P04150 1/20 0.30
KCNH2 Q12809 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 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
SCHEMBL10286300 0.95 ACHE (0.35) ACHENPC1RAB9A
SCHEMBL19151680 0.90 MTNR1A (0.33) ACHEKCNH2MTNR1AMTNR1B
SCHEMBL10286378 0.85 CCR1 (0.37) ACHEBRD3CYP11B1CYP11B2CYP1A2
SCHEMBL10287329 0.84 ACHE (0.35) ACHECYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL10286177 0.83 CTSK (0.36) ACHEKCNH2
SCHEMBL10286308 0.81 CCR1 (0.36) ACHE
SCHEMBL11520274 0.81 CXCR4 (0.30) CXCR4
SCHEMBL4073537 0.81 ACHE (0.35) ACHECXCR4CYP11B1CYP11B2
SCHEMBL10286145 0.79 ACHE (0.32) ACHE
SCHEMBL23504188 0.78 CHRNB2 (0.43) CXCR4KCNH2

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 2 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
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 660/4885UGT2B17 1446/4885BRD3 3219/4885

“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.