SCHEMBL13680465

SCHEMBL13680465

Cc1ccc(-c2ccc(C(=O)O)cc2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.61
KDM4E B2RXH2 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
PKM P14618 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 2/20 0.51
RECQL P46063 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
UBA2 Q9UBT2 1/20 0.51
NQO2 P16083 3/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.46

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
SCHEMBL5963142 0.86 TDP1 (0.69) KDM4ETDP1ALDH1A1NQO2KEAP1
SCHEMBL13680452 0.85 GSK3B (0.61) GSK3BKDM4EALDH1A1MAPTPKM
SCHEMBL7831445 0.84 GSK3B (0.64) GSK3BKDM4ETDP1ALDH1A1MAPT
SCHEMBL13680503 0.83 GSK3B (0.62) GSK3BKDM4ETDP1ALDH1A1GAA
SCHEMBL23197679 0.81 TDP1 (0.56) GSK3BKDM4ETDP1ALDH1A1MAPT
SCHEMBL5655892 0.80 GSK3B (0.64) GSK3BKDM4ETDP1ALDH1A1MAPT
SCHEMBL13680504 0.80 PLK1 (0.50) GSK3BKDM4EALDH1A1MAPTPOLB
SCHEMBL13680494 0.80 ALDH1A1 (0.46) GSK3BKDM4EALDH1A1MAPTGAA
SCHEMBL31331819 0.79 MAPT (0.50) GSK3BKDM4ETDP1ALDH1A1MAPT
SCHEMBL13681277 0.79 MAPT (0.51) GSK3BKDM4ETDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10188627-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2019-01-29 US disclosed
US-10188627-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof MITOBRIDGE, INC. (US) 2019-01-29 US disclosed
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 US disclosed
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 US disclosed
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2017-10-26 US disclosed
WO-2016057660-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2016-04-14 WO disclosed
WO-2016057660-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MITOBRIDGE, INC. (US) 2016-04-14 WO disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 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 (3 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 GSK3B 2838/4885KDM4E 3789/4885TDP1 3143/4885
US-10188627-B2 PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof PPARG, PPARD, PPARA GSK3B 1216/4885KDM4E 4070/4885TDP1 1052/4885
US-20170304255-A1 PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF PPARG, PPARD, PPARA GSK3B 1216/4885KDM4E 4070/4885TDP1 1052/4885

“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.