SCHEMBL6482465

SCHEMBL6482465

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FAAH O00519 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
YAP1 P46937 2/20 0.35
TEAD4 Q15561 2/20 0.35
LPAR1 Q92633 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL6481238 0.91 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL7950103 0.88 GPR88 (0.41) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL8652084 0.88 HTR1E (0.36) ALDH1A1SMN1; SMN2LPAR1NPSR1
SCHEMBL6475744 0.86 POLB (0.39) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6483536 0.86 FAAH (0.43) FAAHTRPV1NPSR1
SCHEMBL6475667 0.86 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2D6MAPK1CYP2C19
SCHEMBL6482748 0.85 FAAH (0.45) FAAHTRPV1NPSR1
SCHEMBL6475256 0.85 FAAH (0.45) FAAHTRPV1NPSR1
SCHEMBL6475228 0.85 FAAH (0.45) FAAHTRPV1NPSR1
SCHEMBL6474520 0.83 LPAR1 (0.40) ALDH1A1FAAHLPAR1POLBNPSR1

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.