SCHEMBL6473689

SCHEMBL6473689

COC(=O)C(C)(NC(=O)C(Cl)c1ccccc1OC)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL6481648 0.87 TAS1R3 (0.44) LPAR1ALDH1A1POLBHTTNPSR1
SCHEMBL6481425 0.85 ALDH1A1 (0.43) LPAR1ALDH1A1POLBHTTNPSR1
SCHEMBL6474679 0.80 L3MBTL1 (0.42) LPAR1ALDH1A1POLBHTTNPSR1
SCHEMBL6475277 0.79 POLB (0.46) LPAR1ALDH1A1POLBHTTNPSR1
SCHEMBL7681213 0.78 CXCL8 (0.50) ALDH1A1LMNACYP2D6
SCHEMBL6483692 0.78 CYP26A1 (0.37) ALDH1A1HTTCYP2D6
SCHEMBL6475066 0.78 POLB (0.43) LPAR1ALDH1A1POLBHTTNPSR1
SCHEMBL6481350 0.78 ALDH1A1 (0.40) LPAR1ALDH1A1POLBHTTNPSR1
SCHEMBL11774126 0.73 POLB (0.47) LPAR1ALDH1A1POLBHTTNPSR1
SCHEMBL6475295 0.73 POLB (0.46) LPAR1ALDH1A1POLBHTTNPSR1

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 LPAR1 1124/4885ALDH1A1 792/4885POLB 4505/4885

“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.