SCHEMBL5750403

SCHEMBL5750403

COc1ccc(C(O)C(Cc2ccc(C(F)(F)F)cc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
BACE1 P56817 2/20 0.48
PPARA Q07869 4/20 0.48
PPARG P37231 4/20 0.48
FFAR1 O14842 3/20 0.45
CACNA1A O00555 1/20 0.44
CACNA2D1 P54289 1/20 0.44
CACNB1 Q02641 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PPARD Q03181 1/20 0.43
BMP1 P13497 1/20 0.43

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
SCHEMBL5754309 0.86 PPARG (0.53) PPARAPPARGFFAR1
SCHEMBL5749180 0.86 LDHA (0.55) LDHAPPARAPPARGFFAR1
SCHEMBL5751624 0.84 PPARG (0.44) PPARAPPARGAKR1C3AKR1C2
SCHEMBL5749682 0.84 PPARG (0.44) PPARAPPARGAKR1C3AKR1C2
SCHEMBL5750437 0.84 PPARG (0.51) PPARAPPARG
SCHEMBL5753842 0.83 PPARG (0.57) PPARAPPARGFFAR1
SCHEMBL1154169 0.83 LDHA (0.55) LDHABACE1PPARAPPARGFFAR1
SCHEMBL5750572 0.82 PPARA (0.43) PPARAPPARGFFAR1
SCHEMBL5751819 0.81 CYP2D6 (0.51) LDHABACE1PPARAPPARGFFAR1
SCHEMBL5751870 0.79 AKR1C3 (0.47) PPARAPPARGFFAR1AKR1C3AKR1C2

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 LDHA 3190/4885BACE1 835/4885PPARA 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.