SCHEMBL21032879

SCHEMBL21032879

CCOC(=O)COc1ccccc1Oc1nc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.46
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL21032902 0.82 PPOX (0.40) PPOXGAAPKMTSHRKDM4E
SCHEMBL31470295 0.82 PPOX (0.40) PPOXGAAPKMTSHRKDM4E
SCHEMBL21001142 0.82 PPOX (0.43) PPOX
SCHEMBL31470304 0.82 PPOX (0.43) PPOX
SCHEMBL21001354 0.81 POLB (0.37) PPOXHPGDPOLBMAPT
SCHEMBL21033104 0.80 TSHR (0.45) PPOXTSHRKDM4ENPC1ALDH1A1
SCHEMBL22789720 0.79 PPOX (0.40) PPOXGAAPKMTSHRKDM4E
SCHEMBL22789766 0.78 TSHR (0.44) PPOXGAATSHRKDM4ENPC1
SCHEMBL21032979 0.78 TSHR (0.44) PPOXTSHRKDM4ENPC1ALDH1A1
SCHEMBL21001135 0.78 PPOX (0.39) PPOXTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12331027-B2 Herbicidal pyridylethers BASF SE 2025-06-17 US disclosed
US-20200392103-A1 HERBICIDAL PYRIDYLETHERS BASF SE (DE) 2020-12-17 US disclosed
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 (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-20200392103-A1 HERBICIDAL PYRIDYLETHERS DDT, PLPBP, PNPO PPOX 265/4885GAA 1000/4885PKM 981/4885
US-12331027-B2 Herbicidal pyridylethers DDT, PLPBP, PNPO PPOX 265/4885GAA 1000/4885PKM 981/4885

“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.