SCHEMBL5752665

SCHEMBL5752665

O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.46
PPARA Q07869 7/20 0.40
PPARG P37231 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
SLC1A1 P43005 2/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MC4R P32245 1/20 0.38
SRD5A2 P31213 1/20 0.38
FFAR1 O14842 1/20 0.38
EPHX2 P34913 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
SCHEMBL5752822 0.85 PPARG (0.47) PPARAPPARGL3MBTL1SLC1A1SRD5A2
SCHEMBL5749682 0.82 PPARG (0.44) PPARAPPARGL3MBTL1CES2CES1
SCHEMBL5751624 0.82 PPARG (0.44) PPARAPPARGL3MBTL1CES2CES1
SCHEMBL5752817 0.81 PDE2A (0.49) PDE2ACYP1A1CYP1B1CES2CES1
SCHEMBL5749024 0.80 OPRM1 (0.47) PPARAPPARGL3MBTL1SLC1A1
SCHEMBL5751870 0.79 AKR1C3 (0.47) PDE2APPARAPPARGL3MBTL1CES2
SCHEMBL5750437 0.76 PPARG (0.51) PPARAPPARGL3MBTL1SLC1A1SRD5A2
SCHEMBL5749774 0.75 FFAR2 (0.48) SLC1A1FFAR1
SCHEMBL5751679 0.74 PPARG (0.44) PPARAPPARGL3MBTL1SRD5A2EPHX2
SCHEMBL5750572 0.74 PPARA (0.43) PPARAPPARGL3MBTL1CES2CES1

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 PDE2A 2691/4885PPARA 708/4885PPARG 905/4885

“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.