SCHEMBL6496802

SCHEMBL6496802

CCOC(=O)C(C)(C)Oc1ccc2c(c1)CCN2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.52
▸ TSHR P16473 2/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PPARG P37231 3/20 0.46
▸ FBP1 P09467 7/20 0.44
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HRH3 Q9Y5N1 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
SCHEMBL6488156 0.90 PPARA (0.52) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL12151279 0.84 PPARA (0.53) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL12151136 0.83 PPARA (0.48) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL1076918 0.81 PPARA (0.51) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL19520635 0.73 HRH3 (0.56) TSHRCYP1A2CYP3A4ALDH1A1CYP2C9
SCHEMBL6487758 0.73 PPARA (0.56) PPARATSHRABCB11CYP1A2CYP3A4
SCHEMBL5783295 0.72 ALDH1A1 (0.56) TSHRALDH1A1CYP2C9ALOX15CYP2C19
SCHEMBL4514738 0.72 PARP11 (0.49) —
SCHEMBL5783298 0.72 ALDH1A1 (0.56) TSHRALDH1A1CYP2C9ALOX15CYP2C19
SCHEMBL9306007 0.72 ACHE (0.56) 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.

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