SCHEMBL5201492

SCHEMBL5201492

CC(C)(C)OC(=O)NCCCC#CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA12 O43570 6/20 0.46
CA9 Q16790 6/20 0.46
CHRM2 P08172 2/20 0.42
CHRM4 P08173 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
PTPN11 Q06124 1/20 0.41
EPHX1 P07099 1/20 0.39
HTT P42858 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL30021709 0.90 MEN1 (0.50) MEN1GAAKMT2ATDP1MAOA
SCHEMBL21410149 0.84 PTPN11 (0.49) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22793999 0.84 TDP1 (0.51) MEN1GAAKMT2ATDP1MAOA
SCHEMBL24029506 0.83 TDP1 (0.57) MEN1GAAKMT2ATDP1MAOA
SCHEMBL14952767 0.82 TDP1 (0.60) MEN1GAAKMT2ATDP1MAOA
SCHEMBL9696001 0.80 TDP1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6650033 0.80 TDP1 (0.61) MEN1GAAKMT2ATDP1MAOA
SCHEMBL22790652 0.79 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3020258 0.78 TDP1 (0.81) MEN1GAAKMT2ATDP1MAOA
SCHEMBL569251 0.78 TDP1 (0.74) MEN1GAAKMT2ATDP1MAOA

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
EP-0773950-B1 LINKED PEPTIDE NUCLEIC ACIDS ISIS PHARMACEUTICALS INC (US) 2007-08-22 EP disclosed
US-20030105286-A1 Linked peptide nucleic acids EGHOLM MICHAEL (US) 2003-06-05 US disclosed
US-6451968-B1 HOOGSTEEN TYPE BASE PAIRING IN TRIPLEX MOTIF; DIAGNOSIS; HEAT RESISTANCE; DETECTION OF POINT MUTATIONS, RESTRICTION ENZYME SITES, AND TRANSCRIPTION INHIBITION ISIS PHARMACEUTICALS, INC. 2002-09-17 US disclosed
US-6441130-B1 FORM TRIPLE STRANDED STRUCTURES WITH NUCLEIC ACIDS ISIS PHARMACEUTICALS, INC. 2002-08-27 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-20030105286-A1 Linked peptide nucleic acids RNGTT, NT5C3B, DPYD MEN1 4398/4885GAA 2330/4885KMT2A 4203/4885

“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.