SCHEMBL4180979

SCHEMBL4180979

COC(=O)COc1cc(Br)c(O)cc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
HMGCR P04035 2/20 0.46
POLB P06746 2/20 0.42
GALR3 O60755 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
APP P05067 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4185294 0.85 LMNA (0.51) LMNAHMGCRPOLBMAPTKDM4E
SCHEMBL4182920 0.79 LMNA (0.42) LMNAPOLBGALR3MAPTKDM4E
SCHEMBL4182959 0.79 LMNA (0.42) LMNAHMGCRPOLBGALR3MAPT
SCHEMBL24091309 0.77 LMNA (0.46) LMNAHMGCRPOLBGALR3MAPT
SCHEMBL4181299 0.77 PTGDR2 (0.50) LMNAHMGCRPOLBKDM4EGAA
SCHEMBL4179912 0.76 POLB (0.42) LMNAHMGCRPOLBGALR3MAPT
SCHEMBL1676664 0.76 ALDH1A1 (0.62) LMNAPOLBKDM4EMEN1KMT2A
SCHEMBL18791371 0.76 GAA (0.51) LMNAPOLBGAATDP1MEN1
SCHEMBL1948781 0.76 SMN1; SMN2 (0.58) LMNAPOLBKDM4EGAATDP1
SCHEMBL31638105 0.75 LMNA (0.47) LMNAHMGCRPOLBGALR3MAPT

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 10 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-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
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-2007056366-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-05-18 WO 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 LMNA 1383/4885HMGCR 281/4885POLB 950/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD LMNA 1383/4885HMGCR 281/4885POLB 950/4885

“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.