SCHEMBL6475338

SCHEMBL6475338

CCC(C)C(NC(=O)Cc1ccc(Cl)cc1OC)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.51
NOS1 P29475 3/20 0.51
NOS2 P35228 3/20 0.51
ALDH1A1 P00352 6/20 0.50
HTT P42858 1/20 0.50
LPAR1 Q92633 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
CACNA1H O95180 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4425149 1.00 NOS3 (0.51) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL4435148 0.91 ALDH1A1 (0.46) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL4435143 0.91 ALDH1A1 (0.46) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL6474964 0.89 ALDH1A1 (0.50) ALDH1A1HTTLPAR1MEN1KMT2A
SCHEMBL4425898 0.89 ALDH1A1 (0.50) ALDH1A1HTTLPAR1MEN1KMT2A
SCHEMBL8652110 0.87 NOS3 (0.52) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL8558206 0.87 NOS3 (0.52) NOS3NOS1NOS2ALDH1A1HTT
SCHEMBL4429507 0.84 LPAR1 (0.50) ALDH1A1HTTLPAR1MEN1KMT2A
SCHEMBL6485648 0.84 LPAR1 (0.50) ALDH1A1HTTLPAR1MEN1KMT2A
SCHEMBL4421836 0.82 ALDH1A1 (0.55) NOS3NOS1NOS2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NOS3 3267/4885NOS1 3560/4885NOS2 3841/4885

“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.