SCHEMBL4181304

SCHEMBL4181304

COC(=O)CCc1cc(O[Si](C)(C)C(C)(C)C)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 1/20 0.38
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PREP P48147 3/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
EGFR P00533 1/20 0.36
DRD2 P14416 1/20 0.35
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
HSP90AA1 P07900 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
SCHEMBL16294203 0.82 POLB (0.48) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL4182936 0.82 CA12 (0.36) CA12CA1CA9ALDH1A1LMNA
SCHEMBL4623025 0.81 KMT2A (0.38) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL7535671 0.80 F2RL1 (0.46) ALDH1A1LMNAMAPTHTTKMT2A
SCHEMBL17923729 0.80 PREP (0.41) CA12CA1CA9PREP
SCHEMBL27742489 0.80 PREP (0.41) CA12CA1CA9ALDH1A1MAPT
SCHEMBL14110450 0.79 CA12 (0.48) CA12CA1CA9PREPDRD2
SCHEMBL15323291 0.79 MTNR1A (0.50) ALDH1A1MAPTKMT2A
SCHEMBL19810687 0.78 CCR6 (0.39) CA12CA1CA9ALDH1A1LMNA
SCHEMBL15324080 0.78 KMT2A (0.41) ALDH1A1LMNAMAPTKMT2AKDM4E

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 CA12 4865/4885CA1 4881/4885CA9 4577/4885
US-20090192203-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARA, PPARD CA12 4865/4885CA1 4881/4885CA9 4577/4885

“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.