SCHEMBL6735653

SCHEMBL6735653

COC(=O)C(C)(C)NC(=O)Cc1c(Cl)cccc1OC.COC(=O)[C@@H](NC(=O)Cc1c(Cl)cccc1OC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.38
CASP1 P29466 2/20 0.37
CASP3 P42574 2/20 0.37
CASP7 P55210 2/20 0.37
CASP8 Q14790 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 1/20 0.37
KLK5 Q9Y337 1/20 0.36
CNR2 P34972 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
SCHEMBL6735648 1.00 ALDH1A1 (0.42) ALDH1A1THRBLMNACASP1CASP3
SCHEMBL4421840 0.89 ALDH1A1 (0.50) ALDH1A1THRBLMNACASP1CASP3
SCHEMBL6482103 0.89 ALDH1A1 (0.50) ALDH1A1THRBLMNACASP1CASP3
SCHEMBL6481421 0.87 THRB (0.46) ALDH1A1THRBLMNASMN1; SMN2MAPK1
SCHEMBL6735652 0.82 ALDH1A1 (0.46) ALDH1A1THRBLMNACASP1CASP3
SCHEMBL4435139 0.81 MBTPS1 (0.47) ALDH1A1THRBLMNACASP1CASP3
SCHEMBL4435142 0.81 MBTPS1 (0.47) ALDH1A1THRBLMNACASP1CASP3
SCHEMBL6475048 0.80 ALDH1A1 (0.47) ALDH1A1THRBLMNASMN1; SMN2
SCHEMBL4433880 0.80 ALDH1A1 (0.47) ALDH1A1THRBLMNASMN1; SMN2
SCHEMBL4425138 0.80 ALDH1A1 (0.53) ALDH1A1THRBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019061-A1 1-H-3-arylpirrolidine-2,4-dione derivatives FISCHER REINER (DE) 2004-01-29 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 (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 792/4885THRB 1717/4885LMNA 2427/4885

“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.