SCHEMBL22488064

SCHEMBL22488064

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.41
MAPK8 P45983 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
P2RY1 P47900 1/20 0.36
TSHR P16473 1/20 0.36
SCN9A Q15858 1/20 0.35
USP2 O75604 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 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
SCHEMBL22488063 0.90 MAPK8 (0.43) MAPK8ALDH1A1LMNATHRBP2RY1
SCHEMBL21902914 0.90 PPOX (0.42) PPOXMAPK8L3MBTL1ALDH1A1KMT2A
SCHEMBL5592842 0.88 PPOX (0.41) PPOXMAPK8L3MBTL1ALDH1A1KMT2A
SCHEMBL30704857 0.88 PPOX (0.41) PPOXMAPK8L3MBTL1ALDH1A1KMT2A
SCHEMBL30704856 0.88 PPOX (0.41) PPOXMAPK8L3MBTL1ALDH1A1KMT2A
SCHEMBL21034419 0.86 PPOX (0.41) PPOXMAPK8L3MBTL1ALDH1A1KMT2A
SCHEMBL5592875 0.85 MAPT (0.43) PPOXMAPK8L3MBTL1ALDH1A1KMT2A
SCHEMBL31118300 0.85 PPOX (0.39) PPOXMAPK8L3MBTL1ALDH1A1KMT2A
SCHEMBL5593022 0.85 SLC6A2 (0.41) L3MBTL1ALDH1A1KMT2AATMNPC1
SCHEMBL6637969 0.84 P2RY1 (0.41) PPOXMAPK8L3MBTL1ALDH1A1KMT2A

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-20230345941-A1 HERBICIDAL PHENYLETHERS BASF SE (DE) 2023-11-02 US disclosed
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 PPOX 194/4885MAPK8 4030/4885L3MBTL1 1622/4885
US-20230345941-A1 HERBICIDAL PHENYLETHERS DDT, HPD, GSTM2 PPOX 194/4885MAPK8 4030/4885L3MBTL1 1622/4885

“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.