SCHEMBL4402448

SCHEMBL4402448

CCCCCCCCCCCCCCCCCC[Si](C)(C)CCCOC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CETP P11597 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MBOAT4 Q96T53 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL4403290 0.91 CETP (0.43) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL4401517 0.81 ALDH1A1 (0.38) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL4403270 0.80 ALDH1A1 (0.52) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL4408042 0.80 ALDH1A1 (0.37) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL12141729 0.79 MBOAT4 (0.47) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL4403280 0.74 ALDH1A1 (0.32) ALDH1A1MAPK1L3MBTL1CYP3A4CYP1A2
SCHEMBL4403275 0.72 ALDH1A1 (0.37) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL32685022 0.72 ALDH1A1 (0.51) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL32684969 0.72 ALDH1A1 (0.51) ALDH1A1MEN1HPGDKMT2ACETP
SCHEMBL4402457 0.71 ALDH1A1 (0.36) ALDH1A1MEN1HPGDKMT2ACETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168741-B2 Chelating silicon-based polymers JOINT INTELLECTUAL PROPERTY POLICY OF MCMASTER UNIVERSITY (CA) 2012-05-01 US disclosed
US-20090118456-A1 CHELATING SILICON-BASED POLYMERS MCMASTER UNIVERSITY (CA) 2009-05-07 US 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-20090118456-A1 CHELATING SILICON-BASED POLYMERS SRM, SMURF1, SLC39A14 ALDH1A1 4478/4885MEN1 2202/4885HPGD 3789/4885

“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.