SCHEMBL4183412

SCHEMBL4183412

COC(=O)CCc1cccc(O[Si](C)(C)C(C)(C)C)c1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PDE4D Q08499 1/20 0.36
TSHR P16473 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
DRD2 P14416 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RPS6KB2 Q9UBS0 1/20 0.35
VDR P11473 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
POLB P06746 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
SCHEMBL4182931 0.82 POLB (0.38) TDP1KDM4EPDE4DTSHRCCNC
SCHEMBL15324144 0.79 MTNR1A (0.52) DRD2
SCHEMBL7242193 0.79 MTNR1A (0.39) TSHRPOLB
SCHEMBL13774984 0.78 TDP1 (0.37) TDP1KDM4EPDE4DTSHRCCNC
SCHEMBL4181015 0.76 IAPP (0.46) TDP1KDM4ETSHRPOLB
SCHEMBL4190066 0.75 DRD2 (0.37) KDM4EPDE4DCCNCCDK8DRD2
SCHEMBL4181304 0.75 CA12 (0.39) KDM4ECCNCCDK8DRD2HDAC1
SCHEMBL27432088 0.75 KMT2A (0.46) KDM4ETSHRPOLB
SCHEMBL4654993 0.74 DRD2 (0.37) KDM4EDRD2HDAC1HDAC6
SCHEMBL15287109 0.74 P2RX7 (0.44) TDP1KDM4ETSHRHDAC1POLB

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 6 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-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
US-20080292608-A1 Compounds and Compositions as Ppar Modulators IRM LLC (BM) 2008-11-27 US disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056366-A2 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 TDP1 3284/4885KDM4E 3478/4885PDE4D 1157/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD TDP1 3284/4885KDM4E 3478/4885PDE4D 1157/4885

“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.