SCHEMBL6661445

SCHEMBL6661445

O=C1CCC=CC1C(=O)c1cccc(C2CC=NO2)c1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 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
SCHEMBL6661439 0.76 PARP1 (0.35) PARP1
SCHEMBL5836928 0.75 KMO (0.49) PARP1
SCHEMBL2897989 0.72 MCL1 (0.51)
SCHEMBL6662015 0.70 F2 (0.30)
SCHEMBL6661545 0.69 PARP1 (0.35) PARP1
SCHEMBL1960278 0.67 ELANE (0.46) PARP1
SCHEMBL6661509 0.66 MCL1 (0.40)
SCHEMBL904393 0.62 TSHR (0.48)
SCHEMBL3260882 0.60 MAPT (0.38)
SCHEMBL7527506 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284969-B1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AG (DE) 2004-08-18 EP claimed
US-6645919-B1 Nonphytotoxic to crops BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US claimed
US-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-23 US claimed
EP-1284969-B1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AG (DE) 2004-08-18 EP disclosed
EP-1284969-B1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AG (DE) 2004-08-18 EP disclosed
EP-1284969-B1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AG (DE) 2004-08-18 EP disclosed
US-6645919-B1 Nonphytotoxic to crops BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-6645919-B1 Nonphytotoxic to crops BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-6645919-B1 Nonphytotoxic to crops BASF AKTIENGESELLSCHAFT (DE) 2003-11-11 US disclosed
US-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
US-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-23 US disclosed
EP-1284969-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-02-26 EP disclosed
EP-1284969-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-02-26 EP disclosed
EP-1284969-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-02-26 EP disclosed
WO-2001087856-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed
WO-2001087856-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed
WO-2001087856-A1 3-(4,5-DIHYDROISOXAZOLE-5-YL)BENZOYLCYCLOHEXENONES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 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-20030199699-A1 3-(4,5-Dihydroisoxaxol-5-yl)benzoylcyclohexenones and the use thereof as herbicides CBR3, HDHD5, CBR1 PARP1 4067/4885

“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.