SCHEMBL5751870

SCHEMBL5751870

O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.47
AKR1C2 P52895 3/20 0.47
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
MME P08473 1/20 0.40
CNR2 P34972 1/20 0.39
PDE2A O00408 1/20 0.39
SRD5A2 P31213 1/20 0.39
FFAR1 O14842 1/20 0.39
EPHX2 P34913 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GRB2 P62993 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
SCHEMBL5751624 0.85 PPARG (0.44) AKR1C3AKR1C2PPARAPPARGL3MBTL1
SCHEMBL5749682 0.85 PPARG (0.44) AKR1C3AKR1C2PPARAPPARGL3MBTL1
SCHEMBL5753842 0.84 PPARG (0.57) PPARAPPARGL3MBTL1CNR2SRD5A2
SCHEMBL5749024 0.84 OPRM1 (0.47) PPARAPPARGL3MBTL1CNR2
SCHEMBL5750437 0.82 PPARG (0.51) PPARAPPARGL3MBTL1CNR2SRD5A2
SCHEMBL5750572 0.80 PPARA (0.43) PPARAPPARGL3MBTL1SRD5A2FFAR1
SCHEMBL5753231 0.80 PDE2A (0.40) AKR1C3AKR1C2PPARAPPARGCNR2
SCHEMBL5752665 0.79 PDE2A (0.46) AKR1C3AKR1C2PPARAPPARGL3MBTL1
SCHEMBL5750403 0.79 LDHA (0.51) AKR1C3AKR1C2PPARAPPARGFFAR1
SCHEMBL5752822 0.78 PPARG (0.47) PPARAPPARGL3MBTL1CNR2SRD5A2

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 AKR1C3 524/4885AKR1C2 516/4885PPARA 708/4885

“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.