SCHEMBL5186608

SCHEMBL5186608

CCOC(=O)C(C)(C)Oc1ccc(OCC(=O)O)cc1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.52
MCL1 Q07820 1/20 0.51
PPARD Q03181 13/20 0.50
PPARA Q07869 4/20 0.50
ABCB11 O95342 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
PMP22 Q01453 1/20 0.50
PPARG P37231 4/20 0.48
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5186614 0.88 FBP1 (0.53) FBP1MCL1PPARDPPARAABCB11
SCHEMBL5186652 0.84 FBP1 (0.54) FBP1PPARDPPARAABCB11CYP1A2
SCHEMBL4113937 0.82 FBP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5186606 0.81 TDP1 (0.54) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5188264 0.81 MEN1 (0.52) PPARDPPARACYP3A4PPARGMAPT
SCHEMBL5484169 0.81 FBP1 (0.54) FBP1PPARDPPARAABCB11CYP1A2
SCHEMBL5484324 0.80 FBP1 (0.53) FBP1PPARDPPARAABCB11CYP1A2
SCHEMBL3385737 0.79 PPARD (0.69) MCL1PPARDPPARAPPARG
SCHEMBL1549824 0.78 FBP1 (0.58) FBP1PPARAABCB11CYP1A2CYP3A4
SCHEMBL5937515 0.78 FBP1 (0.50) FBP1PPARDPPARAABCB11CYP1A2

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
EP-1863772-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-12-12 EP disclosed
WO-2007028424-A1 AMIDE DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-15 WO disclosed
US-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US 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-20060183754-A1 Amide bridged piphenyl or biazaphenyl derivatives PPARD, PPARA, PPARG FBP1 1713/4885MCL1 2431/4885PPARD 1/4885

“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.