SCHEMBL4179912

SCHEMBL4179912

COC(=O)COc1cc(Br)c(O[Si](C)(C)C(C)(C)C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GALR3 O60755 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.37
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HMGCR P04035 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL4179789 0.82 PTGDR2 (0.46) POLBGALR3MAPTLMNAKDM4E
SCHEMBL5525495 0.80 SMN1; SMN2 (0.45) POLBMAPTLMNAKDM4EMAPK1
SCHEMBL4190066 0.80 DRD2 (0.37) KDM4EMAPK1SMN1; SMN2DRD2HPGD
SCHEMBL13774974 0.77 LMNA (0.38) POLBGALR3MAPTLMNAKDM4E
SCHEMBL4180979 0.76 LMNA (0.47) POLBGALR3MAPTLMNAKDM4E
SCHEMBL4182920 0.76 LMNA (0.42) POLBGALR3MAPTLMNAKDM4E
SCHEMBL4182959 0.76 LMNA (0.42) POLBGALR3MAPTLMNAKDM4E
SCHEMBL4185294 0.74 LMNA (0.51) POLBMAPTLMNAKDM4ESMN1; SMN2
SCHEMBL4189987 0.71 DRD2 (0.51) MAPTLMNAKDM4EMAPK1SMN1; SMN2
SCHEMBL31638105 0.71 LMNA (0.47) POLBGALR3MAPTLMNAKDM4E

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 8 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-1945633-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
EP-1945620-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2008-07-23 EP disclosed
WO-2007056497-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO 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 POLB 950/4885GALR3 1927/4885MAPT 3130/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD POLB 950/4885GALR3 1927/4885MAPT 3130/4885

“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.