SCHEMBL3766374

SCHEMBL3766374

C=C(C)C(=O)OCCOC(N)=O.CCCCCCN=C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THRB P10828 2/20 0.42
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
DGKA P23743 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
THRA P10827 1/20 0.31
RAD52 P43351 1/20 0.31

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
SCHEMBL2480778 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL2483259 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL5362558 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL1304140 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL1527497 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL2481162 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL181712 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL1850039 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL17780845 0.83 TSHR (0.59) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL3759291 0.82 TSHR (0.50) TSHRTHRBPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME ADEKA CORPORATION (JP) 2010-12-02 US disclosed
EP-1978017-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME Adeka Corporation (JP) 2008-10-08 EP 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-20100305327-A1 NITROXYL COMPOUND, AND POLYMERIZATION INHIBITOR AND POLYMERIZATION INHIBITOR COMPOSITION USING SAME NOX5, NOX1, NOC2L TSHR 4881/4885THRB 4747/4885PRSS1 2416/4885

“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.