SCHEMBL2009729

SCHEMBL2009729

COC(=O)c1ccc(F)c(COc2ccc(-c3ccc(F)cc3F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.56
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
GSK3B P49841 1/20 0.46
BACE1 P56817 1/20 0.46
PTPN7 P35236 1/20 0.46
FFAR1 O14842 4/20 0.46
FFAR4 Q5NUL3 4/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
MMP1 P03956 2/20 0.44
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
MAPK14 Q16539 1/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 1/20 0.42
ALKBH1 Q13686 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
SCHEMBL2010283 0.87 MAOB (0.56) MAOBALDH1A1GAAGSK3BBACE1
SCHEMBL1756342 0.83 GYS1 (0.53) ALDH1A1GAA
SCHEMBL1756359 0.83 MRGPRX4 (0.67) MAOBALDH1A1MRGPRX4PARP10
SCHEMBL23978212 0.82 RAB9A (0.57) MAOBALDH1A1GAAMRGPRX4PARP15
SCHEMBL3744170 0.81 PTGS1 (0.57) ALDH1A1MAPK14MAPT
SCHEMBL1756329 0.81 MAOB (0.49) MAOBALDH1A1GAAMRGPRX4PARP15
SCHEMBL2945243 0.79 PTGS1 (0.57) ALDH1A1MAPT
SCHEMBL2010830 0.78 MAOB (0.50) MAOBGSK3BBACE1FFAR1FFAR4
SCHEMBL12808621 0.76 CA12 (0.49) ALDH1A1GAAMRGPRX4MAPT
SCHEMBL31371189 0.76 CA12 (0.49) ALDH1A1GAAMRGPRX4MAPT

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
WO-2011067266-A1 CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 WO disclosed
US-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS BOLIN DAVID ROBERT 2011-06-09 US 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-20110136792-A1 NOVEL CARBOXYLIC ACID ANALOGS AS GLYCOGEN SYNTHASE ACTIVATORS GYS2, GYS1, PYGL MAOB 1010/4885ALDH1A1 249/4885GAA 12/4885

“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.