SCHEMBL5753316

SCHEMBL5753316

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
PPARA Q07869 1/20 0.45
POLQ O75417 1/20 0.42
EPHX2 P34913 5/20 0.41
TACR1 P25103 2/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL5752236 0.80 IDO1 (0.41) PPARGPPARATACR1SLC6A2SLC6A4
SCHEMBL5747726 0.77 FFAR1 (0.42) PPARGPPARAEPHX2AKR1C3AKR1C2
SCHEMBL5751195 0.76 PPARG (0.47) PPARGPPARAPOLQEPHX2
SCHEMBL5749682 0.76 PPARG (0.44) PPARGPPARAEPHX2AKR1C3AKR1C2
SCHEMBL5751624 0.76 PPARG (0.44) PPARGPPARAEPHX2AKR1C3AKR1C2
SCHEMBL5752733 0.75 KMT2A (0.48) PPARGPPARAAKR1C3AKR1C2ALDH1A1
SCHEMBL16815322 0.75 PPARG (0.55) PPARGPPARAPOLQEPHX2SLC6A2
SCHEMBL9492298 0.75 PPARG (0.57) PPARGPPARAPOLQEPHX2SLC6A2
SCHEMBL5751805 0.74 SLC1A1 (0.47) PPARGPPARATACR1SLC6A2SLC6A4
SCHEMBL7375299 0.74 EPHX2 (0.59) PPARGPPARAPOLQEPHX2

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 PPARG 905/4885PPARA 708/4885POLQ 4766/4885

“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.