SCHEMBL5749682

SCHEMBL5749682

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
SRD5A2 P31213 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
EPHX2 P34913 1/20 0.41
GRB2 P62993 1/20 0.40
CNR2 P34972 1/20 0.40
ACE P12821 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
SCHEMBL5751624 1.00 PPARG (0.44) PPARGPPARAL3MBTL1KMT2ANOS3
SCHEMBL5752733 0.90 KMT2A (0.48) PPARGPPARAKMT2AAKR1C3AKR1C2
SCHEMBL5749920 0.89 KMT2A (0.43) PPARGPPARAKMT2AAKR1C3AKR1C2
SCHEMBL5750437 0.89 PPARG (0.51) PPARGPPARAL3MBTL1KMT2ASRD5A2
SCHEMBL5750274 0.88 KMT2A (0.43) L3MBTL1KMT2AAKR1C3AKR1C2
SCHEMBL5753842 0.88 PPARG (0.57) PPARGPPARAL3MBTL1SRD5A2CNR2
SCHEMBL5750572 0.86 PPARA (0.43) PPARGPPARAL3MBTL1SRD5A2CES2
SCHEMBL5751870 0.85 AKR1C3 (0.47) PPARGPPARAL3MBTL1SRD5A2AKR1C3
SCHEMBL8071452 0.85 NOS3 (0.42) PPARGPPARANOS3NOS1NOS2
SCHEMBL5749024 0.84 OPRM1 (0.47) PPARGPPARAL3MBTL1CNR2

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 708/4885L3MBTL1 2527/4885

“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.