SCHEMBL5751076

SCHEMBL5751076

CC(C)Oc1cccc(CC(C(=O)O)C(O)c2ccc(F)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.45
PPARA Q07869 4/20 0.44
PPARG P37231 4/20 0.44
FFAR1 O14842 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CNR2 P34972 1/20 0.40
FAAH O00519 2/20 0.39
CETP P11597 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL5753722 0.87 FFAR1 (0.49) SLC1A1PPARAPPARGFFAR1CETP
SCHEMBL5749740 0.86 SLC1A1 (0.43) SLC1A1PPARAPPARGFFAR1ALDH1A1
SCHEMBL5753245 0.85 SLC1A1 (0.44) SLC1A1PPARAPPARGCETP
SCHEMBL5754855 0.84 SLC1A1 (0.48) SLC1A1PPARAPPARGALDH1A1KDM4E
SCHEMBL5750291 0.83 TAAR1 (0.43) PPARAPPARGNPSR1ALDH1A1KDM4E
SCHEMBL5752432 0.83 MEN1 (0.44) SLC1A1PPARAPPARGNPSR1SMN1; SMN2
SCHEMBL5748762 0.83 CETP (0.46) SLC1A1PPARAPPARGCETP
SCHEMBL5752306 0.80 HTR1A (0.44) SLC1A1PPARAPPARGNPSR1ALDH1A1
SCHEMBL5752844 0.79 SLC1A1 (0.45) SLC1A1PPARAPPARGALDH1A1KDM4E
SCHEMBL5751805 0.78 SLC1A1 (0.47) SLC1A1PPARAPPARGNR4A2

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 SLC1A1 343/4885PPARA 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.