SCHEMBL3372231

SCHEMBL3372231

CCOC(=O)C(C)(C)Oc1cnccc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ PMP22 Q01453 1/20 0.49
▸ FBP1 P09467 13/20 0.45
▸ SSTR4 P31391 1/20 0.40
▸ LATS1 O95835 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL4111678 0.78 FBP1 (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7984886 0.77 FBP1 (0.48) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1969926 0.77 PPARA (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL30229615 0.76 TSHR (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL21991780 0.76 TSHR (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1550089 0.75 PPARA (0.50) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4877927 0.74 PPARA (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL3608367 0.73 FBP1 (0.52) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7984907 0.72 PPARA (0.50) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL1549824 0.72 FBP1 (0.58) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 — — EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 — — US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 — — US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 — — EP disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 — — US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 — — US disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 — — EP disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 — — US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 — — 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 (4 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885ABCB11 1755/4885CYP1A2 883/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885ABCB11 1316/4885CYP1A2 1121/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885ABCB11 1755/4885CYP1A2 883/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885ABCB11 1755/4885CYP1A2 883/4885

“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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