SCHEMBL5753523

SCHEMBL5753523

O=Cc1ccc(C2OC(=O)N(C(=O)O)C2Cc2cccc(OC(F)(F)C(F)F)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CETP P11597 13/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
DRD1 P21728 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5749800 0.86 HCRTR1 (0.40) HCRTR1HCRTR2CETPMAPTHTT
SCHEMBL7117716 0.84 CETP (0.37) HCRTR1HCRTR2CETP
SCHEMBL5750077 0.83 CETP (0.38) HCRTR1HCRTR2CETP
SCHEMBL5753117 0.83 CETP (0.46) CETP
SCHEMBL5753905 0.82 CETP (0.38) HCRTR1HCRTR2CETP
SCHEMBL7123401 0.82 HCRTR1 (0.38) HCRTR1HCRTR2CETP
SCHEMBL7124598 0.80 CETP (0.38) HCRTR1HCRTR2CETP
SCHEMBL5752033 0.78 CETP (0.39) HCRTR1HCRTR2CETP
SCHEMBL5754477 0.77 CETP (0.37) HCRTR1HCRTR2CETP
SCHEMBL5751191 0.77 PIM1 (0.39) HCRTR1HCRTR2CETPPIM1PIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP HCRTR1 1956/4885HCRTR2 1789/4885CETP 1/4885

“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.