SCHEMBL5598402

SCHEMBL5598402

CCCCc1ccc(C#Cc2ccc(CNCc3ccc(C(=O)O)c(C)c3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.54
PLK1 P53350 9/20 0.49
PTPN11 Q06124 1/20 0.47
PTPRO Q16827 1/20 0.47
PLK3 Q9H4B4 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR2 O95136 1/20 0.43
PPARA Q07869 1/20 0.43
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43

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
SCHEMBL2858924 0.85 RARB (0.61) RARBPLK1S1PR1S1PR3S1PR2
SCHEMBL551744 0.80 RARB (0.68) RARBPLK1PLK3AGTR1AGTR2
SCHEMBL2853542 0.78 CYP4A11 (0.55) RARBPLK1PTPN11S1PR1S1PR3
SCHEMBL2851976 0.77 RARB (0.52) RARBPLK1PTPN11PTPROPPARA
SCHEMBL5598223 0.77 PLK1 (0.50) RARBPLK1PTPN11PTPROPPARA
SCHEMBL5598090 0.77 PLK1 (0.47) RARBPLK1PTPN11PTPROPPARA
SCHEMBL2857126 0.76 ESR1 (0.54) PLK1S1PR1S1PR3S1PR2
SCHEMBL2857121 0.76 S1PR1 (0.45) PLK1S1PR1S1PR3S1PR2
SCHEMBL1811178 0.76 RARB (0.73) RARBPLK1PTPN11PTPRORARA
SCHEMBL2858029 0.76 FFAR1 (0.54) NR1H4S1PR1S1PR3S1PR2PPARA

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-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS RARB 4697/4885PLK1 4382/4885PTPN11 97/4885

“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.