SCHEMBL3676780

SCHEMBL3676780

O=C(C=Cc1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl)OCl

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.38
PTGDR Q13258 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3676778 1.00 PPOX (0.38) PPOXPTGDRATML3MBTL1
SCHEMBL25395175 0.89 PTGDR (0.42) PPOXPTGDR
SCHEMBL8011328 0.89 PTGDR (0.42) PPOXPTGDR
SCHEMBL8011326 0.89 PTGDR (0.42) PPOXPTGDR
SCHEMBL8002600 0.78 PTGDR (0.35) PPOXPTGDRATML3MBTL1
SCHEMBL8002603 0.78 PTGDR (0.35) PPOXPTGDRATML3MBTL1
SCHEMBL7892824 0.78 PPOX (0.39) PPOX
SCHEMBL7162462 0.78 PPOX (0.45) PPOX
SCHEMBL3676777 0.76 PPOX (0.39) PPOX
SCHEMBL3676781 0.76 PPOX (0.39) PPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081762-A1 SUBSTITUTED 5-MEMBERED RINGS AND THEIR USE AS PESTICIDES CORTEVA AGRISCIENCE LLC (US) 2024-04-18 WO disclosed
WO-2024031002-A1 (2,4-DICHLOROPHENOXY)ACETIC ACID ANALOGS CORTEVA AGRISCIENCE LLC (US) 2024-02-08 WO disclosed
US-20210392888-A1 COMPOSITIONS COMPRISING A PYRIDINE CARBOXYLATE HERBICIDE AND PROTOPORPHYRINOGEN OXIDASE (PROTOX) INHIBITOR HERBICIDES CORTEVA AGRISCIENCE LLC (US) 2021-12-23 US disclosed
US-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES BAYER CROPSCIENCE AG (DE) 2010-09-16 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-20100234226-A1 HERBICIDE COMBINATION COMPRISING DIMETHOXYTRIAZINYL-SUBSTITUTED DIFLUOROMETHANESULFONYLANILIDES DDT, CBR3, AS3MT PPOX 1577/4885PTGDR 2349/4885ATM 2308/4885
US-20210392888-A1 COMPOSITIONS COMPRISING A PYRIDINE CARBOXYLATE HERBICIDE AND PROTOPORPHYRINOGEN OXIDASE (PROTOX) INHIBITOR HERBICIDES PPOX, PAOX, PNPO PPOX 1/4885PTGDR 3327/4885ATM 3416/4885

“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.