SCHEMBL5750573

SCHEMBL5750573

CCOC(=O)C(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.53
PPARA Q07869 6/20 0.53
MMP8 P22894 1/20 0.48
EPHX2 P34913 3/20 0.46
PPARD Q03181 3/20 0.45
MDM2 Q00987 2/20 0.44
SRD5A2 P31213 2/20 0.44
LTA4H P09960 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CETP P11597 2/20 0.43
MAPK14 Q16539 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL5752575 0.90 MDM2 (0.50) PPARGPPARAMMP8MDM2TDP1
SCHEMBL5748807 0.89 EPHX2 (0.54) PPARGMMP8EPHX2MDM2HPGD
SCHEMBL5753961 0.87 MAPK14 (0.55) PPARGPPARAMMP8EPHX2PPARD
SCHEMBL5752926 0.86 LDHA (0.52) PPARGPPARAMMP8EPHX2MDM2
SCHEMBL5753349 0.83 EPHX2 (0.54) PPARGPPARAMMP8EPHX2MDM2
SCHEMBL5752029 0.81 EPHX2 (0.48) PPARGMMP8EPHX2MDM2HPGD
SCHEMBL5752702 0.81 EPHX2 (0.48) PPARGMMP8EPHX2MDM2NPC1
SCHEMBL5754407 0.81 PPARG (0.45) PPARGPPARAMMP8EPHX2PPARD
SCHEMBL27429943 0.81 LDHA (0.59) PPARGPPARAMMP8EPHX2MDM2
SCHEMBL5752445 0.81 EPHX2 (0.50) PPARGPPARAMMP8EPHX2MDM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO 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 708/4885MMP8 3327/4885

“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.