SCHEMBL5525495

SCHEMBL5525495

COC(=O)COc1ccc(O[Si](C)(C)C(C)(C)C)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
PDK2 Q15119 1/20 0.39
DRD2 P14416 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 2/20 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
SCHEMBL16821212 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL4179912 0.80 POLB (0.42) SMN1; SMN2ALDH1A1MAPK1LMNAGAA
SCHEMBL6765739 0.77 CA12 (0.47) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL14447085 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL1948781 0.75 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL5516353 0.75 LMNA (0.49) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL4181304 0.74 CA12 (0.39) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL5007025 0.74 GAA (0.62) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL5007334 0.74 PKM (0.69) SMN1; SMN2ALDH1A1MAPK1NPC1RAB9A
SCHEMBL7627705 0.73 MAPT (0.44) ALDH1A1MAPK1RAB9AKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
US-20070203155-A1 Compounds And Compositions As Ppar Modulators IRM LLC (BM) 2007-08-30 US disclosed
EP-1748993-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2007-02-07 EP disclosed
WO-2005116000-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2005-12-08 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 (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-20070203155-A1 Compounds And Compositions As Ppar Modulators PPARG, PPARA, PPARD SMN1; SMN2 4476/4885ALDH1A1 1651/4885MAPK1 1669/4885

“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.