SCHEMBL22488063

SCHEMBL22488063

COC(=O)COc1ncccc1Oc1cc(I)c(F)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.43
LMNA P02545 1/20 0.42
SCN9A Q15858 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
CARM1 Q86X55 2/20 0.37
P2RY1 P47900 1/20 0.37
MAPT P10636 2/20 0.36
PRMT6 Q96LA8 1/20 0.36
THRB P10828 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL22488064 0.90 PPOX (0.41) MAPK8LMNASCN9AP2RY1THRB
SCHEMBL21034418 0.88 MAPK8 (0.44) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL3250748 0.87 MAPK8 (0.43) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21034914 0.85 MEN1 (0.43) MAPK8LMNAMAPTTHRBALDH1A1
SCHEMBL3955026 0.85 ATM (0.42) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21034417 0.84 LMNA (0.46) MAPK8LMNASCN9ACARM1P2RY1
SCHEMBL22487899 0.83 MAPK8 (0.40) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21035048 0.83 MAPK8 (0.40) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL6639473 0.83 MAPK8 (0.40) MAPK8LMNASCN9AHTR1ADRD2
SCHEMBL21034409 0.81 LMNA (0.48) MAPK8LMNAMAPTTHRB

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-20230345941-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2023-11-02 US disclosed
US-20200305429-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2020-10-01 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-20200305429-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 MAPK8 4030/4885LMNA 3721/4885SCN9A 3892/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 MAPK8 4030/4885LMNA 3721/4885SCN9A 3892/4885

“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.