SCHEMBL436876

SCHEMBL436876

CCOC(=O)COCCCC(C)(CCCOCC(=O)OCC)CCCOCC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.37
CES2 O00748 2/20 0.37
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.34
NLRP3 Q96P20 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL21069919 0.84 GAA (0.50) GAAMGAMSIMGAM2CYP4F2
SCHEMBL24882784 0.82 GAA (0.48) GAAMGAMSIMGAM2CYP4F2
SCHEMBL21070768 0.82 CES2 (0.52) GAAMGAMSIMGAM2CYP4F2
SCHEMBL8988864 0.80 CES2 (0.50) GAAMGAMSIMGAM2CYP4F2
SCHEMBL546058 0.80 CES2 (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11163358 0.80 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19917367 0.79 GAA (0.41) GAAMGAMSIMGAM2CYP4F2
SCHEMBL2189922 0.79 CYP1A2 (0.55) GAAMGAMSIMGAM2CYP4F2
SCHEMBL6317486 0.79 CES2 (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3260402 0.79 CES2 (0.59) GAAMGAMSIMGAM2ALDH1A1

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-9139456-B2 Chelating compounds and immobilized tethered chelators THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2015-09-22 US disclosed
US-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2012-03-15 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-20120061325-A1 CHELATING COMPOUNDS AND IMMOBILIZED TETHERED CHELATORS BTD, TTPA, SLC39A7 GAA 29/4885MGAM 1740/4885SI 260/4885

“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.