SCHEMBL5754276

SCHEMBL5754276

NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
BACE1 P56817 2/20 0.44
CETP P11597 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNK2 O95069 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
FFAR1 O14842 1/20 0.41
CNR2 P34972 1/20 0.40
SCN9A Q15858 1/20 0.40

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
SCHEMBL5755207 0.88 PPARG (0.43) PPARGPPARABACE1SLC6A2SLC6A4
SCHEMBL5750221 0.85 LTA4H (0.45) LTA4HEPHX2PPARGPPARAFFAR1
SCHEMBL5751819 0.84 CYP2D6 (0.51) MEN1KMT2APPARGPPARABACE1
SCHEMBL5754309 0.82 PPARG (0.53) MAPK14MEN1KMT2ALTA4HEPHX2
SCHEMBL5750053 0.81 TRPA1 (0.39)
SCHEMBL6578585 0.81 TRPA1 (0.39)
SCHEMBL5751727 0.81 TRPA1 (0.39)
SCHEMBL5750538 0.80 CNR2 (0.49) PPARGPPARASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5751082 0.80 TACR1 (0.39)
SCHEMBL5750512 0.78 AKT1 (0.41) SLC6A2SLC6A4SLC6A3

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 MAPK14 3182/4885MEN1 2847/4885KMT2A 404/4885

“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.