SCHEMBL5754412

SCHEMBL5754412

O=C(OCc1ccccc1)C(Cc1cccc(OC(F)(F)C(F)F)c1)C(=O)c1ccc(Oc2ccccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 9/20 0.41
MAPK14 Q16539 1/20 0.39
MGLL Q99685 1/20 0.37
IP6K1 Q92551 2/20 0.37
IP6K3 Q96PC2 2/20 0.37
IP6K2 Q9UHH9 2/20 0.37
BRS3 P32247 1/20 0.37
CHRM5 P08912 1/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PSEN1 P49768 1/20 0.36
MDM2 Q00987 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL5750113 0.86 CETP (0.48) CETPMAPK14
SCHEMBL5749216 0.82 POLB (0.42) CETPMAPK14MDM2PDE4D
SCHEMBL5753775 0.82 MAPK14 (0.47) CETPMAPK14PPARG
SCHEMBL5752135 0.81 CETP (0.42) CETPMAPK14PPARG
SCHEMBL5753498 0.81 L3MBTL1 (0.47) CETP
SCHEMBL5749758 0.78 CETP (0.42) CETPMAPK14CHRM5
SCHEMBL7173132 0.76 CETP (0.41) CETPMAPK14CHRM5
SCHEMBL5749945 0.76 CETP (0.41) CETPMAPK14CHRM5
SCHEMBL5750278 0.76 CETP (0.48) CETP
SCHEMBL5749378 0.74 MDM2 (0.48) CETPMDM2

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 1/4885MAPK14 3182/4885MGLL 67/4885

“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.