SCHEMBL6500814

SCHEMBL6500814

CCOC(=O)C(C)(C)Oc1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
MAOA P21397 2/20 0.53
THRA P10827 3/20 0.51
THRB P10828 3/20 0.51
FBP1 P09467 7/20 0.49
PPARG P37231 2/20 0.48
KDR P35968 1/20 0.44
HDAC1 Q13547 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43

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
SCHEMBL6487758 0.89 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5813916 0.86 MAOA (0.49) MAOATHRATHRBKDRHDAC1
SCHEMBL2668321 0.82 MAOA (0.50) MAOATHRATHRBHDAC1
SCHEMBL4665845 0.77 PDE3B (0.55) PPARACYP1A2CYP3A4MAOATHRA
SCHEMBL3791624 0.76 MAOA (0.48) CYP1A2CYP3A4MAOAHDAC1
SCHEMBL27623659 0.76 MAOA (0.59) MAOAHDAC1
SCHEMBL30621292 0.76 MAOA (0.59) MAOAHDAC1
SCHEMBL15580691 0.75 PPARA (0.67) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL11548436 0.75 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3903999 0.75 PPARA (0.76) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions KALYPSYS, INC. (US) 2005-09-15 US disclosed
WO-2005060958-A1 (5- (2-PHENYL)-THIAZOL-5-YLMETHOXY)-INDOL-1-YL) -ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE HUMAN PPAR-DELTA RECEPTOR FOR THE TREATMENT OF METABOLIC DISORDERS SUCH AS TYPE 2 DIABETES KALYPSYS, INC. (US) 2005-07-07 WO 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-20050203151-A1 Novel compounds, compositions and uses thereof for treatment of metabolic disorders and related conditions PPARG, PPARD, PPARA PPARA 3/4885ABCB11 1648/4885CYP1A2 657/4885

“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.