SCHEMBL10286378

SCHEMBL10286378

OCc1ccc2c(n1)C(O)CCC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.37
ACHE P22303 2/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
KCNH2 Q12809 1/20 0.31
BRD3 Q15059 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
SCHEMBL10286308 0.95 CCR1 (0.36) CCR1ACHEHTR2AHTR2CHTR2B
SCHEMBL10287016 0.85 ACHE (0.38) ACHECYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL10287329 0.85 ACHE (0.35) ACHECYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL10286300 0.81 ACHE (0.35) ACHE
SCHEMBL10286145 0.81 ACHE (0.32) ACHE
SCHEMBL10286177 0.78 CTSK (0.36) ACHEKCNH2
SCHEMBL10286327 0.77 ACHE (0.39) ACHECYP11B1CYP11B2CYP1A2CYP2C9
SCHEMBL10287316 0.76 ACHE (0.41) ACHEHTR2AHTR2CHTR2BCYP1A2
SCHEMBL868218 0.76 ACHE (0.41) ACHEHTR2AHTR2CHTR2BCYP1A2
SCHEMBL10287367 0.76 ACHE (0.38) ACHECYP11B1CYP11B2CYP1A2CYP2C9

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 CCR1 568/4885ACHE 660/4885HTR2A 3575/4885

“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.