SCHEMBL5753722

SCHEMBL5753722

O=C(O)C(Cc1cccc(Oc2ccccc2)c1)C(O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
PPARA Q07869 6/20 0.48
PPARG P37231 5/20 0.48
SLC1A1 P43005 2/20 0.46
PTGS1 P23219 1/20 0.46
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARD Q03181 1/20 0.42
FDFT1 P37268 1/20 0.42
CETP P11597 1/20 0.42
CPB1 P15086 1/20 0.41

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
SCHEMBL5749813 0.89 PPARA (0.50) FFAR1PPARAPPARGPPARD
SCHEMBL5751076 0.87 SLC1A1 (0.45) FFAR1PPARAPPARGSLC1A1CETP
SCHEMBL5753245 0.86 SLC1A1 (0.44) PPARAPPARGSLC1A1CETP
SCHEMBL5749740 0.85 SLC1A1 (0.43) FFAR1PPARAPPARGSLC1A1CETP
SCHEMBL5752432 0.84 MEN1 (0.44) PPARAPPARGSLC1A1CETP
SCHEMBL5748762 0.84 CETP (0.46) PPARAPPARGSLC1A1CETP
SCHEMBL5752446 0.83 CETP (0.50) PPARAPPARGCETP
SCHEMBL5750654 0.82 CETP (0.43) FFAR1PPARAPPARGFDFT1CETP
SCHEMBL5752306 0.81 HTR1A (0.44) PPARAPPARGSLC1A1
SCHEMBL3469623 0.80 PPARG (0.55) FFAR1PPARAPPARGMMEACE

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 FFAR1 137/4885PPARA 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.