SCHEMBL4421059

SCHEMBL4421059

CCC(C)C(NC(=O)Cc1c(Cl)cccc1OC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HTT P42858 1/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
PYGL P06737 1/20 0.43
POLB P06746 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL4421060 1.00 ALDH1A1 (0.45) ALDH1A1HTTCYP2C9CYP2C19LMNA
SCHEMBL6481137 0.91 ALDH1A1 (0.53) ALDH1A1HTTLMNAPOLBNOS3
SCHEMBL4425138 0.91 ALDH1A1 (0.53) ALDH1A1HTTLMNAPOLBNOS3
SCHEMBL4435142 0.89 MBTPS1 (0.47) ALDH1A1LMNAPOLBSMN1; SMN2THRB
SCHEMBL4435139 0.89 MBTPS1 (0.47) ALDH1A1LMNAPOLBSMN1; SMN2THRB
SCHEMBL8744730 0.89 PYGL (0.47) ALDH1A1HTTCYP2C9CYP2C19PYGL
SCHEMBL8744735 0.89 PYGL (0.47) ALDH1A1HTTCYP2C9CYP2C19PYGL
SCHEMBL4431531 0.84 SHMT2 (0.51) ALDH1A1LMNAPOLBSMN1; SMN2THRB
SCHEMBL4431529 0.84 SHMT2 (0.51) ALDH1A1LMNAPOLBSMN1; SMN2THRB
SCHEMBL4421840 0.82 ALDH1A1 (0.50) ALDH1A1LMNAPOLBSMN1; SMN2THRB

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 792/4885HTT 1990/4885CYP2C9 161/4885

“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.