SCHEMBL6035557

SCHEMBL6035557

CCOc1n[nH]cc1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
GLA P06280 1/20 0.39
SLC13A5 Q86YT5 3/20 0.35
GABRR1 P24046 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLA2G4B P0C869 1/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL5380841 0.83 KMT2A (0.46) MEN1KMT2AHSD17B10
SCHEMBL7588663 0.76 PPARG (0.37) CYP1A2
SCHEMBL3263726 0.75 TSHR (0.42) L3MBTL1GLAMAPTKDM4ECYP1A2
SCHEMBL28363069 0.75 GABRR1 (0.37) THRBL3MBTL1GLAGABRR1MAPT
SCHEMBL5111772 0.74 CYP4F2 (0.48) L3MBTL1MAPTKDM4ECYP1A2HSD17B10
SCHEMBL25409861 0.74 GABRR1 (0.39) THRBL3MBTL1GLAGABRR1MAPT
Bromide SCHEMBL28900329 0.74 GABRR1 (0.36) THRBL3MBTL1GLAGABRR1MAPT
Hydrochloric Acid SCHEMBL28363070 0.74 GABRR1 (0.36) THRBL3MBTL1GLAGABRR1MAPT
SCHEMBL951011 0.73 KDM4E (0.43) L3MBTL1MAPTKDM4ECYP1A2MEN1
SCHEMBL17611676 0.72 AKR1B1 (0.42) THRBL3MBTL1GLAGABRR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 THRB 512/4885L3MBTL1 1040/4885GLA 782/4885

“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.