SCHEMBL5222988

SCHEMBL5222988

CC1=C(C(=O)O)C(c2ccccc2C)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.58
ALDH1A1 P00352 14/20 0.56
KDM4E B2RXH2 14/20 0.56
GAA P10253 8/20 0.56
HPGD P15428 8/20 0.56
HSD17B10 Q99714 5/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
NPSR1 Q6W5P4 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 3/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL5222526 0.88 GSK3B (0.60) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL13461463 0.86 KDM4E (0.61) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL5219391 0.85 GSK3B (0.62) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL5197527 0.82 FFAR3 (0.60) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL10802998 0.82 FFAR3 (0.42) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL5226455 0.81 ALDH1A1 (0.69) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL3329183 0.80 NPSR1 (0.59) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL5199144 0.80 ALDH1A1 (0.56) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL15756118 0.79 KDM4E (0.61) GSK3BALDH1A1KDM4EGAAHPGD
SCHEMBL5196967 0.78 KDM4E (0.70) GSK3BALDH1A1KDM4EGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US claimed
EP-1814554-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2007-08-08 EP disclosed
US-20060116369-A1 Certain compounds, compositions, and methods CYTOKINETICS, INC. 2006-06-01 US disclosed
WO-2006047537-A1 CERTAIN COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2006-05-04 WO 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-20060116369-A1 Certain compounds, compositions, and methods PCNA, MKI67, TP53 GSK3B 2247/4885ALDH1A1 791/4885KDM4E 4051/4885

“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.