SCHEMBL6475209

SCHEMBL6475209

CCC1CCC(NC(=O)C(Cl)c2ccc(OC)cc2)(C(=O)OC)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
YAP1 P46937 1/20 0.35
TEAD4 Q15561 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KLK7 P49862 1/20 0.34
EPHX2 P34913 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL6474814 0.93 TP53 (0.37) KMT2AALDH1A1YAP1TEAD4MEN1
SCHEMBL6483628 0.91 CNR2 (0.37) KMT2ACNR2ALDH1A1CYP3A4CYP2D6
SCHEMBL8650624 0.90 ADRA1D (0.36) KMT2AALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL7958038 0.88 GPR88 (0.42) KMT2ACYP3A4MEN1MAPTSMYD3
SCHEMBL6474518 0.87 POLB (0.39) KMT2AALDH1A1CYP3A4CYP2D6MAPK1
SCHEMBL6481442 0.86 SMYD3 (0.37) KMT2ACNR2ALDH1A1CYP3A4CYP2D6
SCHEMBL6474830 0.85 SMYD3 (0.36) KMT2ACNR2ALDH1A1CYP3A4CYP2D6
SCHEMBL6475580 0.85 MEN1 (0.41) KMT2ACNR2NPSR1MEN1MAPT
SCHEMBL6482178 0.84 NPSR1 (0.40) KMT2ACNR2ALDH1A1CYP3A4CYP2D6
SCHEMBL6475365 0.83 MEN1 (0.43) KMT2AALDH1A1CYP3A4CYP2D6MAPK1

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 KMT2A 2190/4885CNR2 1295/4885ALDH1A1 792/4885

“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.