SCHEMBL5752777

SCHEMBL5752777

O=C(O)C(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.53
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX5 P09917 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
NR4A2 P43354 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.41
GPR132 Q9UNW8 1/20 0.41

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
SCHEMBL5752742 0.92 CETP (0.51) CETPPDK1PDK2PDK3PDK4
SCHEMBL5751829 0.86 CETP (0.49) CETP
SCHEMBL5752982 0.85 CETP (0.55) CETPKMT2ASMN1; SMN2ALOX5MEN1
SCHEMBL5753040 0.85 ADRB3 (0.44) CETP
SCHEMBL5752446 0.84 CETP (0.50) CETP
SCHEMBL5748762 0.83 CETP (0.46) CETP
SCHEMBL5752367 0.83 CETP (0.40) CETP
SCHEMBL5752336 0.82 CETP (0.41) CETP
SCHEMBL5753416 0.82 CETP (0.47) CETPKMT2ASMN1; SMN2PDK1PDK2
SCHEMBL5751452 0.81 CETP (0.40) CETP

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 CETP 1/4885KMT2A 404/4885SMN1; SMN2 4771/4885

“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.