SCHEMBL5751195

SCHEMBL5751195

O=C(O)C(Cc1ccccc1C(F)(F)F)C(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.47
PPARA Q07869 1/20 0.47
EPHX2 P34913 7/20 0.46
MDM2 Q00987 2/20 0.44
POLQ O75417 1/20 0.44
CTNNB1 P35222 1/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
RAB9A P51151 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 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
SCHEMBL5755917 0.85 EPHX2 (0.51) PPARGPPARAEPHX2MDM2MAOB
SCHEMBL9492298 0.83 PPARG (0.57) PPARGPPARAEPHX2POLQ
SCHEMBL5753316 0.76 PPARG (0.45) PPARGPPARAEPHX2POLQ
SCHEMBL7375299 0.76 EPHX2 (0.59) PPARGPPARAEPHX2POLQCTNNB1
SCHEMBL10660853 0.75 PPARG (0.47) PPARGPPARAEPHX2MDM2POLQ
SCHEMBL10885169 0.75 PPARG (0.50) PPARGPPARAEPHX2POLQ
SCHEMBL7123489 0.74 GSK3B (0.49) PPARGPPARAEPHX2MDM2
SCHEMBL6695640 0.74 PPARG (0.51) PPARGPPARAEPHX2POLQCTNNB1
SCHEMBL16815322 0.74 PPARG (0.55) PPARGPPARAEPHX2POLQMAOB
SCHEMBL27761205 0.74 MAOB (0.49) PPARGPPARAEPHX2POLQCTNNB1

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 2 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

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 PPARG 905/4885PPARA 708/4885EPHX2 1434/4885

“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.