SCHEMBL4403280

SCHEMBL4403280

CC(=O)C(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)OCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCOC(CC(=O)COCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCC3 O15438 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 1/20 0.31
RARG P13631 1/20 0.31
CNR1 P21554 1/20 0.31
OPRK1 P41145 1/20 0.31
NR1H2 P55055 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL4402463 0.96 ALDH1A1 (0.34) ALDH1A1MAPK1L3MBTL1NPC1LMNA
SCHEMBL4402457 0.87 ALDH1A1 (0.36) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL4408042 0.87 ALDH1A1 (0.37) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL4403275 0.86 ALDH1A1 (0.37) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL4401517 0.86 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL4403290 0.74 CETP (0.43) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL4402448 0.74 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL4403270 0.74 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1CYP3A4
SCHEMBL2689999 0.68 HTT (0.36) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL242004 0.67 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNACYP1A2

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 4478/4885MAPK1 4503/4885L3MBTL1 3625/4885

“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.