SCHEMBL13775010

SCHEMBL13775010

COC(=O)CCc1cc(Br)c(CC(C)(C)[Si](C)(C)O)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
EGFR P00533 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
RPS6KB2 Q9UBS0 1/20 0.31
IDH1 O75874 3/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
IDO1 P14902 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL14531014 0.85 NPSR1 (0.38) NPSR1CCNCCDK8CNR1CNR2
SCHEMBL13775011 0.81 NPSR1 (0.35) NPSR1IDH1
SCHEMBL13774974 0.80 LMNA (0.38) KDM4EHPGDHSD17B10MTNR1AMTNR1B
SCHEMBL13775064 0.78 CYP11B1 (0.37) CYP11B1CYP11B2EGFRKDM4ECCNC
SCHEMBL13774984 0.78 TDP1 (0.37) CYP11B1CYP11B2EGFRKDM4EHPGD
SCHEMBL4190066 0.78 DRD2 (0.37) NPSR1CYP11B1CYP11B2EGFRKDM4E
SCHEMBL2473673 0.77 NPSR1 (0.50) NPSR1CYP11B1CYP11B2EGFRKDM4E
SCHEMBL12808519 0.77 NPSR1 (0.61) NPSR1KDM4EHPGDCCNCCDK8
SCHEMBL4183452 0.74 NPSR1 (0.43) NPSR1CYP11B1CYP11B2EGFRKDM4E
SCHEMBL1014039 0.73 NPSR1 (0.42) NPSR1CYP11B1CYP11B2EGFRKDM4E

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-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-07-30 US disclosed
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 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 (2 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-20080292608-A1 Compounds and Compositions as Ppar Modulators PPARG, PPARA, PPARD NPSR1 2096/4885CYP11B1 240/4885CYP11B2 338/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD NPSR1 2096/4885CYP11B1 240/4885CYP11B2 338/4885

“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.