SCHEMBL6475667

SCHEMBL6475667

COc1ccc(C(Cl)C(=O)NC2(C(=O)O)CCC(C)C(C)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
NPY1R P25929 1/20 0.34
SLC6A4 P31645 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6480023 0.91 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL7961902 0.88 GPR88 (0.42) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL8654380 0.87 HTR1E (0.34) ALDH1A1CNR2NPSR1SMN1; SMN2
SCHEMBL6475744 0.87 POLB (0.39) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6482465 0.86 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6483796 0.84 SMYD3 (0.37) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6482458 0.83 SMYD3 (0.36) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6474821 0.82 NPSR1 (0.40) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6483628 0.82 CNR2 (0.37) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6474841 0.82 LPAR1 (0.37) CNR2NPSR1KMT2AMEN1L3MBTL1

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 ALDH1A1 792/4885CYP3A4 120/4885CYP2D6 416/4885

“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.