SCHEMBL4425898

SCHEMBL4425898

COC(=O)[C@@H](NC(=O)Cc1ccc(Cl)cc1OC)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LPAR1 Q92633 2/20 0.48
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
THRB P10828 2/20 0.43
KDM4C Q9H3R0 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6474964 1.00 ALDH1A1 (0.50) ALDH1A1NPSR1LPAR1MEN1KMT2A
SCHEMBL4426579 0.90 SDCBP (0.50) ALDH1A1NPSR1LPAR1MEN1KMT2A
SCHEMBL4426577 0.90 SDCBP (0.50) ALDH1A1NPSR1LPAR1MEN1KMT2A
SCHEMBL4425149 0.89 NOS3 (0.51) ALDH1A1LPAR1MEN1KMT2AGAA
SCHEMBL6475338 0.89 NOS3 (0.51) ALDH1A1LPAR1MEN1KMT2AGAA
SCHEMBL4429507 0.87 LPAR1 (0.50) ALDH1A1LPAR1MEN1KMT2AGAA
SCHEMBL6485648 0.87 LPAR1 (0.50) ALDH1A1LPAR1MEN1KMT2AGAA
SCHEMBL8557162 0.86 ALDH1A1 (0.57) ALDH1A1NPSR1MEN1KMT2AGAA
SCHEMBL8657482 0.86 ALDH1A1 (0.57) ALDH1A1NPSR1MEN1KMT2AGAA
SCHEMBL20752917 0.85 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741700-B1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2009-10-07 EP disclosed
US-6939888-B2 1-H-3-arylpirrolidine-2,4-dione derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 US disclosed
US-6472419-B1 1-H-3-aryl-pyrrolidine-2, 4-dione derivatives as pest-control agents BAYER AKTIENGESELLSCHAFT (DE) 2002-10-29 US disclosed
EP-0741700-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-11-13 EP disclosed
WO-1995020572-A1 1-H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-08-03 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-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives PRXL2A, DDT, CYP4B1 ALDH1A1 792/4885NPSR1 828/4885LPAR1 1124/4885

“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.