SCHEMBL20528015

SCHEMBL20528015

CC(C)(C)OC(=O)NC1CCc2ccc(OB(O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.44
KDM1A O60341 1/20 0.42
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
BCHE P06276 1/20 0.39
PDE10A Q9Y233 1/20 0.38
MTNR1A P48039 1/20 0.37

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
SCHEMBL877933 0.85 ACHE (0.50) ACHEKDM1AMAOAMAOBBCHE
SCHEMBL3301607 0.84 ACHE (0.52) ACHEMAOAMAOBBCHE
SCHEMBL3301612 0.84 ACHE (0.52) ACHEMAOAMAOBBCHE
SCHEMBL18497285 0.83 ACHE (0.38) ACHEKDM1AMAOB
SCHEMBL485349 0.83 BACE1 (0.43) ACHEKDM1A
SCHEMBL485350 0.83 BACE1 (0.43) ACHEKDM1A
SCHEMBL14371529 0.82 ACHE (0.68) ACHEMAOAMAOBBCHE
SCHEMBL17702025 0.82 NQO2 (0.53) ACHEMAOAMAOBBCHEPDE10A
SCHEMBL7942829 0.82 MAOA (0.50) ACHEMAOAMAOBMTNR1A
SCHEMBL17040762 0.82 TRPV1 (0.46) ACHEKDM1APDE10A

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-10357036-B2 Compounds for controlling arthropods BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-23 US disclosed
US-20180289007-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-11 US 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 (2 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-10357036-B2 Compounds for controlling arthropods DDT, ACHE, NISCH ACHE 2/4885KDM1A 565/4885MAOA 283/4885
US-20180289007-A1 NOVEL COMPOUNDS FOR CONTROLLING ARTHROPODS DDT, ACHE, NISCH ACHE 2/4885KDM1A 1001/4885MAOA 511/4885

“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.