SCHEMBL6487758

SCHEMBL6487758

CCOC(=O)C(C)(C)Oc1ccc2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.56
TSHR P16473 2/20 0.56
ABCB11 O95342 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR2A P28223 1/20 0.56
PMP22 Q01453 1/20 0.56
MAOA P21397 3/20 0.53
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
PPARG P37231 3/20 0.48
FBP1 P09467 7/20 0.46
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CDK19 Q9BWU1 1/20 0.41

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
SCHEMBL6500814 0.89 PPARA (0.56) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL15902172 0.77 PDE3B (0.55) PPARATSHRCYP1A2CYP3A4MAOA
SCHEMBL3791812 0.76 MEN1 (0.65) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL27777770 0.76 MAOA (0.59) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL5813916 0.75 MAOA (0.49) MAOAMEN1POLBMAPK1KMT2A
SCHEMBL3903999 0.75 PPARA (0.76) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL11548436 0.75 PPARA (0.76) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL6035075 0.74 PPARA (0.61) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL31117862 0.74 PPARA (0.70) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL4614967 0.74 PPARA (0.61) PPARATSHRABCB11CYP1A2CYP3A4

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 3/4885TSHR 1751/4885ABCB11 1648/4885

“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.