SCHEMBL4401517

SCHEMBL4401517

CC(=O)C(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
MAPK1 P28482 2/20 0.37
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ABCC3 O15438 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
NR3C1 P04150 1/20 0.35
RARG P13631 1/20 0.35
CNR1 P21554 1/20 0.35
OPRK1 P41145 1/20 0.35
NR1H2 P55055 1/20 0.35
PPARA Q07869 1/20 0.35
NR1H3 Q13133 1/20 0.35
NR1I3 Q14994 1/20 0.35
TSHR P16473 3/20 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
SCHEMBL4408042 0.99 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPK1CYP3A4CYP1A2
SCHEMBL4403275 0.92 ALDH1A1 (0.37) ALDH1A1L3MBTL1MAPK1CYP3A4CYP1A2
SCHEMBL4402457 0.91 ALDH1A1 (0.36) ALDH1A1L3MBTL1MAPK1CYP3A4CYP1A2
SCHEMBL4403280 0.86 ALDH1A1 (0.32) ALDH1A1L3MBTL1MAPK1CYP3A4CYP1A2
SCHEMBL4402463 0.81 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPK1CYP3A4CYP1A2
SCHEMBL4402448 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPK1CYP3A4CYP1A2
SCHEMBL4408037 0.79 MGAM (0.30) TSHR
SCHEMBL4403290 0.72 CETP (0.43) ALDH1A1L3MBTL1MAPK1CYP3A4CYP1A2
SCHEMBL19152589 0.71 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR
SCHEMBL4403270 0.71 ALDH1A1 (0.52) ALDH1A1L3MBTL1MAPK1CYP3A4TSHR

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 4478/4885L3MBTL1 3625/4885MAPK1 4503/4885

“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.