SCHEMBL5751981

SCHEMBL5751981

CCOC(=O)C(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1ccnc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CETP P11597 16/20 0.38
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL5752367 0.89 CETP (0.40) CETP
SCHEMBL5750254 0.87 ALDH1A1 (0.39) ALDH1A1CETPTSHRMAPK1TDP1
SCHEMBL5752277 0.87 CETP (0.46) ALDH1A1CETP
SCHEMBL5751825 0.83 ALDH1A1 (0.40) ALDH1A1CETP
SCHEMBL7153377 0.82 CETP (0.38) CETP
SCHEMBL5752233 0.82 CETP (0.38) CETP
SCHEMBL5750554 0.82 CETP (0.47) CETP
SCHEMBL5753416 0.81 CETP (0.47) ALDH1A1CETPL3MBTL1
SCHEMBL5751956 0.81 CETP (0.41) CETP
SCHEMBL5755285 0.80 MAPK1 (0.41) ALDH1A1CETPTSHRMAPK1TDP1

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 ALDH1A1 783/4885CETP 1/4885TSHR 3729/4885

“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.