SCHEMBL2029459

SCHEMBL2029459

Fc1ccc(-c2ccc(OCc3cccc(CBr)c3)cc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.49
NR4A2 P43354 1/20 0.45
GYS1 P13807 3/20 0.44
F10 P00742 1/20 0.44
PARP10 Q53GL7 1/20 0.44
GSTP1 P09211 1/20 0.43
GRM5 P41594 1/20 0.43
FFAR1 O14842 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL2012370 0.86 GYS1 (0.52) MAOBGYS1GSTP1
SCHEMBL2030541 0.84 MAOB (0.44) MAOBF10GRM5FFAR1MAOA
SCHEMBL2009537 0.83 MAOB (0.46) MAOBF10GRM5FFAR1
SCHEMBL2011729 0.81 GYS1 (0.54) MAOBGYS1
SCHEMBL2012405 0.81 GYS1 (0.54) MAOBGYS1GSTP1
SCHEMBL1756377 0.80 MRGPRX4 (0.65) NR4A2
SCHEMBL1767152 0.79 MAOB (0.56) MAOBFFAR1MAOA
SCHEMBL2010257 0.79 GYS1 (0.68) GYS1
SCHEMBL4159809 0.78 CNR1 (0.42)
SCHEMBL1756359 0.77 MRGPRX4 (0.67) MAOBNR4A2GYS1F10PARP10

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 1010/4885NR4A2 2034/4885GYS1 2/4885

“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.