SCHEMBL4428845

SCHEMBL4428845

CC1CCCC2(C1)NC(=O)C(c1ccc(OC(C)C)cc1Cl)C2=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA4 P22748 3/20 0.34
CA5A P35218 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA5B Q9Y2D0 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.31
GLA P06280 1/20 0.31
DHCR7 Q9UBM7 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL6994685 0.89 TDP1 (0.38) TDP1CA12CA1CA2CA4
SCHEMBL8558170 0.85 HPGD (0.34) CA12CA1CA2CA4CA5A
SCHEMBL4428399 0.75 PDE7A (0.47) CA2
SCHEMBL4434523 0.72 PDE7A (0.39) CA1CA2CA7CA9
SCHEMBL8905942 0.70 GAA (0.42) HPGD
SCHEMBL8559348 0.70 PDE7A (0.45) POLB
SCHEMBL12496757 0.68 PDE7A (0.45)
SCHEMBL7612862 0.68 CA12 (0.34) CA12CA1CA2CA4CA5A
SCHEMBL8559775 0.66 TSHR (0.38) TDP1
SCHEMBL4426483 0.65 CA2 (0.38) CA2

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 TDP1 2545/4885CA12 4798/4885CA1 4398/4885

“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.