SCHEMBL5186641

SCHEMBL5186641

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 7/20 0.52
AKR1C3 P42330 9/20 0.45
AKR1C2 P52895 9/20 0.45
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
ABCB11 O95342 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR2A P28223 1/20 0.44
PMP22 Q01453 1/20 0.44
PPARA Q07869 1/20 0.44
PTGS2 P35354 5/20 0.41
PTGS1 P23219 3/20 0.41
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
SLC22A6 Q4U2R8 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
SCHEMBL5188822 0.86 FBP1 (0.53) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL5186732 0.85 FBP1 (0.50) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL5187840 0.84 FBP1 (0.54) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL5188798 0.82 FBP1 (0.53) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL5186513 0.82 FBP1 (0.52) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL5186606 0.81 TDP1 (0.54) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL1549824 0.78 FBP1 (0.58) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL9701146 0.77 FBP1 (0.57) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL7984260 0.77 TSHR (0.64) FBP1CYP1A2TSHRABCB11CYP3A4
SCHEMBL22005942 0.77 FBP1 (0.57) FBP1CYP1A2TSHRABCB11CYP3A4

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 1713/4885AKR1C3 789/4885AKR1C2 1358/4885

“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.