SCHEMBL5186606

SCHEMBL5186606

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
FBP1 P09467 11/20 0.51
TSHR P16473 2/20 0.49
HTR2A P28223 2/20 0.49
CYP1A2 P05177 2/20 0.49
PPARA Q07869 2/20 0.49
ABCB11 O95342 1/20 0.49
CYP3A4 P08684 1/20 0.49
PMP22 Q01453 1/20 0.49
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL5937515 0.89 FBP1 (0.50) TDP1FBP1TSHRHTR2ACYP1A2
SCHEMBL5186662 0.84 FBP1 (0.53) FBP1TSHRHTR2ACYP1A2PPARA
SCHEMBL5186651 0.81 PORCN (0.46) TDP1FBP1TSHRCYP1A2CYP3A4
SCHEMBL5186608 0.81 FBP1 (0.52) FBP1TSHRHTR2ACYP1A2PPARA
SCHEMBL5186641 0.81 FBP1 (0.52) FBP1TSHRHTR2ACYP1A2PPARA
SCHEMBL4113937 0.81 FBP1 (0.54) FBP1TSHRHTR2ACYP1A2PPARA
SCHEMBL5186614 0.79 FBP1 (0.53) FBP1TSHRHTR2ACYP1A2PPARA
SCHEMBL5186652 0.78 FBP1 (0.54) FBP1TSHRHTR2ACYP1A2PPARA
SCHEMBL1549824 0.77 FBP1 (0.58) TDP1FBP1TSHRHTR2ACYP1A2
SCHEMBL5188822 0.77 FBP1 (0.53) FBP1TSHRHTR2ACYP1A2PPARA

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 TDP1 4308/4885FBP1 1713/4885TSHR 226/4885

“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.