SCHEMBL4428852

SCHEMBL4428852

CCC(C)C(NC(=O)Cc1ccc(OC)cc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KEAP1 Q14145 1/20 0.41
FPR2 P25090 2/20 0.40
ATM Q13315 1/20 0.40
CTSD P07339 1/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL4428853 1.00 ALDH1A1 (0.47) ALDH1A1HTTPRSS1PRSS2PRSS3
SCHEMBL6475056 0.91 ALDH1A1 (0.55) ALDH1A1HTTPRSS1PRSS2PRSS3
SCHEMBL4421836 0.91 ALDH1A1 (0.55) ALDH1A1HTTPRSS1PRSS2PRSS3
SCHEMBL4428332 0.89 PRSS1 (0.47) ALDH1A1HTTPRSS1PRSS2PRSS3
SCHEMBL4428330 0.89 PRSS1 (0.47) ALDH1A1HTTPRSS1PRSS2PRSS3
SCHEMBL6996015 0.87 KMT2A (0.47) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL6996018 0.87 KMT2A (0.47) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL8556273 0.86 CA2 (0.46) ALDH1A1HTTCYP2C9CYP2C19MEN1
SCHEMBL8556276 0.86 CA2 (0.46) ALDH1A1HTTCYP2C9CYP2C19MEN1
SCHEMBL4426812 0.84 PRSS1 (0.48) ALDH1A1HTTPRSS1PRSS2PRSS3

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 ALDH1A1 792/4885HTT 1990/4885PRSS1 1638/4885

“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.