SCHEMBL5750844

SCHEMBL5750844

COc1cccc(-c2ccc(C(O)C(Cc3cccc(OC(F)(F)C(F)F)c3)NC(=O)c3cccc4c3C=CCCC4)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.34
SCN9A Q15858 1/20 0.34
LMNA P02545 1/20 0.33
BACE1 P56817 4/20 0.33
UGCG Q16739 1/20 0.32
CTSL P07711 1/20 0.32
MME P08473 2/20 0.32
CTSD P07339 3/20 0.32
MCHR1 Q99705 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL5750171 0.96 UGCG (0.35) CETPSCN9ALMNABACE1UGCG
SCHEMBL5753971 0.94 CETP (0.36) CETPSCN9ABACE1UGCGCTSL
SCHEMBL5751760 0.94 UGCG (0.36) CETPLMNABACE1UGCGCTSD
SCHEMBL5752295 0.92 CETP (0.32) CETPSCN9ABACE1UGCGMME
SCHEMBL5753982 0.92 UGCG (0.39) CETPLMNABACE1UGCGCTSD
SCHEMBL5750566 0.92 CTSL (0.35) CETPSCN9AUGCGCTSLMCHR1
SCHEMBL5750212 0.91 CETP (0.34) CETPSCN9ABACE1UGCGCTSL
SCHEMBL5753310 0.91 CETP (0.34) CETPSCN9ABACE1UGCGCTSD
SCHEMBL5752427 0.91 UGCG (0.32) CETPSCN9AUGCGMCHR1
SCHEMBL5752710 0.90 HCRTR1 (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 1/4885SCN9A 3335/4885LMNA 2989/4885

“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.