SCHEMBL5752135

SCHEMBL5752135

O=C(OCc1ccccc1)C(Cc1cccc(OC(F)(F)C(F)F)c1)C(=O)c1ccc(Oc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.42
P4HTM Q9NXG6 1/20 0.39
MAPK14 Q16539 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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 0.85 CETP (0.48) CETPMAPK14
SCHEMBL5751621 0.83 CETP (0.43) CETPMAPK14
SCHEMBL5754412 0.81 CETP (0.41) CETPMAPK14PPARG
SCHEMBL5753775 0.78 MAPK14 (0.47) CETPMAPK14PPARGPPARA
SCHEMBL5751928 0.77 CETP (0.46) CETPMAPK14PPARGPPARA
SCHEMBL5749216 0.77 POLB (0.42) CETPMAPK14OPRM1
SCHEMBL5753498 0.76 L3MBTL1 (0.47) CETP
SCHEMBL7159587 0.74 CETP (0.44) CETPMAPK14
SCHEMBL5751004 0.74 CETP (0.44) CETPMAPK14
SCHEMBL5750278 0.74 CETP (0.48) 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 1/4885P4HTM 1698/4885MAPK14 3182/4885

“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.