SCHEMBL20738296

SCHEMBL20738296

CCOC(=O)COc1cc(C(C)C)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.53
ACHE P22303 6/20 0.53
DUT P33316 1/20 0.49
TYR P14679 2/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP9 P55211 1/20 0.45
F10 P00742 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL20201705 0.87 DUT (0.53) BCHEACHEDUTCASP3CASP7
SCHEMBL19918319 0.86 ACHE (0.71) BCHEACHETYR
SCHEMBL765724 0.86 BCHE (0.51) BCHEACHETYRALDH1A1
SCHEMBL20738339 0.83 BCHE (0.44) BCHEACHEDUTCASP3CASP7
SCHEMBL879186 0.83 BCHE (0.43) BCHEACHEDUTTYRALDH1A1
SCHEMBL12868991 0.82 FFAR1 (0.51) BCHEACHEALDH1A1
SCHEMBL10206356 0.80 HTT (0.46) BCHEACHEALDH1A1
SCHEMBL14297578 0.79 BCHE (0.45) BCHEACHETYRALDH1A1
SCHEMBL13091265 0.78 ESR1 (0.49) BCHEACHETYR
SCHEMBL5620982 0.78 ESR1 (0.49) CASP3CASP7CASP9ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-20 US disclosed
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 US disclosed
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-28 US disclosed
US-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-14 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 (4 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-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 BCHE 4/4885ACHE 18/4885DUT 3311/4885
US-20200048221-A1 SUBSTITUTED 2-(HET)ARYLIMIDAZOLYLCARBOXYAMIDES AS PESTICIDES DDT, CYP4X1, CYP4Z1 BCHE 4/4885ACHE 18/4885DUT 3311/4885
US-10807968-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 BCHE 4/4885ACHE 18/4885DUT 3311/4885
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 BCHE 4/4885ACHE 18/4885DUT 3311/4885

“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.