SCHEMBL6481385

SCHEMBL6481385

CCC(C)C(C)(NC(=O)C(Cl)c1ccc(OC)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
GPR88 Q9GZN0 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.38
KLK7 P49862 2/20 0.38
AKR1C3 P42330 5/20 0.38
AKR1C2 P52895 5/20 0.38
PTGS1 P23219 3/20 0.38
AKR1C1 Q04828 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
PTGS2 P35354 3/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6474626 0.90 TAS1R3 (0.44) NPSR1GPR88KMT2AALDH1A1LMNA
SCHEMBL7961960 0.88 GPR88 (0.49) NPSR1GPR88KMT2AALDH1A1LMNA
SCHEMBL8655994 0.86 ALDH1A1 (0.39) KMT2AALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL6475227 0.81 LMNA (0.42) NPSR1GPR88KMT2AALDH1A1LMNA
SCHEMBL6474679 0.81 L3MBTL1 (0.42) NPSR1KMT2AALDH1A1LMNACYP1A2
SCHEMBL6482521 0.80 NPSR1 (0.47) NPSR1GPR88KMT2AALDH1A1LMNA
SCHEMBL8653680 0.79 TAS1R3 (0.45) KMT2AALDH1A1LMNACYP1A2MEN1
SCHEMBL6483622 0.79 NPSR1 (0.41) NPSR1GPR88KMT2AALDH1A1LMNA
SCHEMBL27460977 0.79 HPGD (0.42) KMT2AALDH1A1KLK7CNR2PTGS2
SCHEMBL7960750 0.78 GPR88 (0.46) NPSR1GPR88KMT2AALDH1A1LMNA

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 NPSR1 828/4885GPR88 2197/4885KMT2A 2190/4885

“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.