SCHEMBL5753597

SCHEMBL5753597

O=C(NC(Cc1cccc(OC(F)(F)C(F)F)c1)C(O)c1cccc(OCc2ccccc2)c1)c1cccc2c1C=CCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.40
UGCG Q16739 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PTGES O14684 1/20 0.35
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GPR132 Q9UNW8 1/20 0.34
MEN1 O00255 1/20 0.34
FAAH O00519 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALOX5 P09917 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
SCHEMBL5753406 0.94 CETP (0.38) CETPUGCGL3MBTL1PTGES
SCHEMBL5752113 0.91 UGCG (0.36) CETPUGCG
SCHEMBL5753982 0.91 UGCG (0.39) CETPUGCG
SCHEMBL5751888 0.90 CETP (0.37) CETPUGCGSLC6A2SLC6A4
SCHEMBL5752953 0.90 PTGER4 (0.37) CETPKMT2ASMN1; SMN2MEN1
SCHEMBL5754604 0.90 CETP (0.35) CETPUGCGKMT2AMEN1SLC6A2
SCHEMBL5753971 0.89 CETP (0.36) CETPUGCG
SCHEMBL5748991 0.89 UGCG (0.36) CETPUGCG
SCHEMBL1899668 0.89 CETP (0.38) CETPUGCG
SCHEMBL5752659 0.89 CETP (0.35) CETPUGCG

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 1/4885UGCG 740/4885L3MBTL1 2527/4885

“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.