SCHEMBL6475780

SCHEMBL6475780

COC(=O)C1(NC(=O)C(Cl)c2ccccc2OC)CCC(OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 14/20 0.39
MMP1 P03956 1/20 0.36
EPHX2 P34913 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6474742 0.91 KCNA3 (0.39) KCNA3MMP1EPHX2POLBHTT
SCHEMBL6483520 0.89 GAA (0.42) EPHX2POLBHTTNPSR1L3MBTL1
SCHEMBL6474636 0.87 LPAR1 (0.36) KCNA3EPHX2POLBHTTNPSR1
SCHEMBL6476219 0.87 ALDH1A1 (0.45) POLBHTTNPSR1L3MBTL1
SCHEMBL6482260 0.86 ALDH1A1 (0.37) KCNA3POLBHTTNPSR1L3MBTL1
SCHEMBL6482572 0.86 MEN1 (0.39) KCNA3EPHX2POLBHTTNPSR1
SCHEMBL6482268 0.85 ALDH1A1 (0.46) L3MBTL1
SCHEMBL6474377 0.85 ALDH1A1 (0.46) L3MBTL1
SCHEMBL6484134 0.85 ALDH1A1 (0.46) L3MBTL1
SCHEMBL7675801 0.84 EPHX2 (0.37) KCNA3EPHX2POLBHTTNPSR1

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 KCNA3 1788/4885MMP1 3464/4885EPHX2 2499/4885

“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.