SCHEMBL2687930

SCHEMBL2687930

C=CCOC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HCAR2 Q8TDS4 1/20 0.40
SLC15A1 P46059 1/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
P2RX4 Q99571 1/20 0.38
TGM2 P21980 1/20 0.38
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4734508 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1L3MBTL1HCAR2KMT2A
SCHEMBL4734515 0.89 ADORA3 (0.39) ALDH1A1MAPK1L3MBTL1KMT2ASLC6A2
SCHEMBL2687931 0.83 CASP1 (0.37) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL3282967 0.80 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1HCAR2SLC15A1
SCHEMBL4403270 0.77 ALDH1A1 (0.52) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A
SCHEMBL242004 0.76 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1HCAR2SLC15A1
SCHEMBL20221612 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1HCAR2KMT2A
SCHEMBL15114506 0.76 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1HCAR2KMT2A
SCHEMBL11064051 0.75 PKM (0.57) ALDH1A1MAPK1L3MBTL1HCAR2KMT2A
SCHEMBL17895893 0.75 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1HCAR2KMT2A

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-8168741-B2 Chelating silicon-based polymers JOINT INTELLECTUAL PROPERTY POLICY OF MCMASTER UNIVERSITY (CA) 2012-05-01 US disclosed
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
US-20090118456-A1 CHELATING SILICON-BASED POLYMERS MCMASTER UNIVERSITY (CA) 2009-05-07 US disclosed
EP-1915385-A1 CHELATING SILICON-BASED POLYMERS McMaster University (CA) 2008-04-30 EP disclosed
WO-2007014471-A1 CHELATING SILICON-BASED POLYMERS MCMASTER UNIVERSITY (CA) 2007-02-08 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-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.