SCHEMBL21032979

SCHEMBL21032979

CCOC(=O)COc1ccccc1Oc1nc(N)c(F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PPOX P50336 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABCB1 P08183 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
LMNA P02545 2/20 0.39
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL21033104 0.89 TSHR (0.45) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL19641826 0.89 MAPT (0.39) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL22789766 0.87 TSHR (0.44) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL22789762 0.82 USP2 (0.40) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL21032712 0.82 ALDH1A1 (0.43) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL22789719 0.79 TSHR (0.48) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL21032879 0.78 PPOX (0.46) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL21039333 0.77 MAPT (0.40) TSHRALDH1A1KDM4ESMN1; SMN2PPOX
SCHEMBL19641833 0.77 LTA4H (0.46) SMN1; SMN2LMNANPC1MAPTRAB9A
SCHEMBL29435259 0.77 LTA4H (0.46) SMN1; SMN2LMNANPC1MAPTRAB9A

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-20200392103-A1 HERBICIDAL PYRIDYLETHERS BASF SE (DE) 2020-12-17 US disclosed
CN-111356684-A Herbicidal pyridyl ethers 巴斯夫欧洲公司 2020-06-30 CN disclosed
WO-2019101513-A1 HERBICIDAL PYRIDYLETHERS BASF SE (DE) 2019-05-31 WO 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-20200392103-A1 HERBICIDAL PYRIDYLETHERS DDT, PLPBP, PNPO TSHR 2413/4885ALDH1A1 37/4885KDM4E 1166/4885

“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.