SCHEMBL905144

SCHEMBL905144

CC(C)(O)Cc1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.52
DRD2 P14416 4/20 0.49
DRD3 P35462 3/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL3693386 0.87 ATM (0.39) TAAR1CYP1A2LMNA
SCHEMBL1753917 0.85 ESR1 (0.56) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL31384148 0.84 ENPP2 (0.48) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL10666048 0.82 ENPP2 (0.50) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL10666058 0.82 TAAR1 (0.57) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL27697848 0.82 ENPP2 (0.50) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL10925250 0.81 DRD2 (0.47) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL8409886 0.80 DRD2 (0.55) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL3551297 0.80 CTBP2 (0.45) ENPP2DRD2DRD3DRD1DRD4
SCHEMBL5174907 0.80 CTBP2 (0.45) ENPP2DRD2DRD3DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
WO-2012043445-A1 CYCLOHEXANE DERIVATIVE COMPOUND 第一三共株式会社 (JP) 2012-04-05 WO disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 US disclosed
EP-0863878-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 EP disclosed
WO-1997010218-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1997-03-20 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ENPP2 2123/4885DRD2 3818/4885DRD3 4407/4885

“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.