SCHEMBL12804549

SCHEMBL12804549

CCOC(=O)C(C)(C)Oc1cccc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 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
▸ FBP1 P09467 10/20 0.50
▸ PPARG P37231 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ OPRK1 P41145 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
SCHEMBL4423002 0.88 PPARA (0.59) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL5822903 0.80 ALDH1A1 (0.57) PPARACYP1A2CYP3A4TSHRPPARG
SCHEMBL3608367 0.79 FBP1 (0.52) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4111678 0.78 FBP1 (0.58) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7988932 0.77 TSHR (0.54) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL7980993 0.77 FBP1 (0.60) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL12670823 0.77 FBP1 (0.56) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL581322 0.77 TSHR (0.64) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9034965 0.77 FBP1 (0.61) PPARAABCB11CYP1A2CYP3A4TSHR
Clofibrate SCHEMBL6900545 0.76 PPARA (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 — — EP disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 — — US disclosed
US-8697673-B2 Bicyclic pyridinones PFIZER INC. (US) 2014-04-15 — — US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 — — US disclosed
EP-2691393-A1 NOVEL BICYCLIC PYRIDINONES Pfizer Inc (US) 2014-02-05 — — EP disclosed
US-20120252758-A1 Novel Bicyclic Pyridinones PFIZER INC. 2012-10-04 — — US disclosed
WO-2012131539-A1 NOVEL BICYCLIC PYRIDINONES PFIZER INC. (US) 2012-10-04 — — 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 (2 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-20140045790-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 PPARA 1308/4885ABCB11 135/4885CYP1A2 48/4885
US-20120252758-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 PPARA 1308/4885ABCB11 135/4885CYP1A2 48/4885

“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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