SCHEMBL22039645

SCHEMBL22039645

C#CCN1C(=O)C2(CC2)Oc2cc(F)c(N3C(=O)c4ccc(F)cc4C3=O)cc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.38
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CASP3 P42574 1/20 0.32
CASP7 P55210 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
GRM1 Q13255 3/20 0.31
GRM4 Q14833 2/20 0.31
PARK7 Q99497 1/20 0.31
MAOA P21397 2/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
GRM7 Q14831 1/20 0.30
MAOB P27338 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
SCHEMBL20693054 0.96 NR3C2 (0.39) NR3C2ESR1ESR2CASP3CASP7
SCHEMBL22039636 0.91 MAOA (0.39) NR3C2CASP3ALDH1A1GAAGRM1
SCHEMBL22039637 0.90 GRM1 (0.40) NR3C2ESR1ESR2GRM1GRM4
SCHEMBL20693118 0.90 ESR1 (0.47) NR3C2ESR1ESR2ALDH1A1GAA
SCHEMBL30799095 0.89 NR3C2 (0.37) NR3C2ESR1ESR2GRM1GRM4
SCHEMBL21990702 0.89 NR3C2 (0.37) NR3C2ESR1ESR2GRM1GRM4
SCHEMBL903301 0.89 ESR1 (0.36) ESR1ESR2CASP3CASP7GRM1
SCHEMBL20693122 0.88 NR3C2 (0.39) NR3C2ESR1ESR2GRM1GRM4
SCHEMBL20693107 0.88 ALDH1A1 (0.39) NR3C2ESR1ALDH1A1
SCHEMBL20693099 0.85 NR3C2 (0.38) NR3C2ESR1ESR2PARK7

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
EP-3658551-B1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2022-01-19 EP disclosed
US-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES REDAG CROP PROT LTD (GB) 2020-06-04 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 (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-20200172527-A1 BENZOXAZINONE DERIVATIVES USEFUL AS HERBICIDES CBR3, CBR1, CYP4X1 NR3C2 450/4885ESR1 973/4885ESR2 823/4885

“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.