SCHEMBL5120093

SCHEMBL5120093

CCOc1cccc(CC(=O)O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ GLA P06280 1/20 0.53
▸ AKR1B1 P15121 1/20 0.47
▸ DUSP3 P51452 1/20 0.45
▸ PTPN5 P54829 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ FABP4 P15090 1/20 0.44
▸ FABP5 Q01469 1/20 0.44
▸ CXCL8 P10145 2/20 0.44
▸ TSHR P16473 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PTGER1 P34995 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
SCHEMBL26292596 0.85 L3MBTL1 (0.47) L3MBTL1GLAMAPTNPSR1TSHR
SCHEMBL1628791 0.84 L3MBTL1 (0.62) L3MBTL1GLAAKR1B1MAPTNPSR1
SCHEMBL257089 0.84 GABRA1 (0.61) L3MBTL1GLAMAPTNPSR1TSHR
SCHEMBL251300 0.83 FABP4 (0.58) L3MBTL1GLAAKR1B1MAPTNPSR1
Hydrochloric Acid SCHEMBL2525349 0.83 L3MBTL1 (0.61) L3MBTL1GLAAKR1B1MAPTNPSR1
SCHEMBL2874758 0.83 IDO1 (0.56) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL5783356 0.80 MEN1 (0.41) L3MBTL1GLAMAPTNPSR1TSHR
SCHEMBL30940116 0.79 ALDH1A1 (0.46) L3MBTL1GLAMAPTNPSR1TSHR
SCHEMBL5120337 0.78 GABRA1 (0.71) L3MBTL1AKR1B1DUSP3PTPN5PTPN11
SCHEMBL674008 0.78 ALDH1A1 (0.52) L3MBTL1GLAMAPTNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 — — US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 — — EP disclosed
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 (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-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 L3MBTL1 1040/4885GLA 782/4885AKR1B1 101/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 L3MBTL1 2694/4885GLA 1962/4885AKR1B1 257/4885

“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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