SCHEMBL2430976

SCHEMBL2430976

[O-][N+]#Cc1c(OCCCCCCCCOc2ccc3ccccc3c2C#[N+][O-])ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
HTR1B P28222 4/20 0.41
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A4 P31645 2/20 0.40
CNR2 P34972 4/20 0.39
HRH3 Q9Y5N1 4/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39
CNR1 P21554 3/20 0.39
HRH1 P35367 1/20 0.38
CYP2C9 P11712 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36

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
SCHEMBL12290140 0.88 MAPT (0.36) KCNA3HTR1BTDP1GAAL3MBTL1
SCHEMBL26071286 0.87 KCNA3 (0.34) KCNA3HTR1BTDP1GAAL3MBTL1
SCHEMBL655423 0.84 CNR2 (0.43) TDP1GAAL3MBTL1CNR2CNR1
SCHEMBL10019289 0.80 RIPK1 (0.37) SLC6A4
SCHEMBL652710 0.80 MAPT (0.53) CYP2C9
SCHEMBL654398 0.78 ALDH1A1 (0.44) TDP1GAASLC6A4
SCHEMBL21925267 0.76 BRD4 (0.41) TDP1GAASLC6A4CNR2HTR2A
SCHEMBL22969288 0.75 MEN1 (0.33) TDP1GAACNR2HRH3HTR2A
SCHEMBL6915133 0.74 GAA (0.51) KCNA3HTR1BTDP1GAAL3MBTL1
SCHEMBL7420976 0.74 GAA (0.55) HTR1BTDP1GAAL3MBTL1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530585-B2 Crosslinker, crosslinked polymer material, and production method of the crosslinked polymer material TOYODA GOSEI CO., LTD. (JP) 2013-09-10 US claimed
US-20110224380-A1 CROSSLINKER, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD OF THE CROSSLINKED POLYMER MATERIAL TOYODA GOSEI CO., LTD. (JP) 2011-09-15 US claimed
US-8530585-B2 Crosslinker, crosslinked polymer material, and production method of the crosslinked polymer material TOYODA GOSEI CO., LTD. (JP) 2013-09-10 US disclosed
US-8530585-B2 Crosslinker, crosslinked polymer material, and production method of the crosslinked polymer material TOYODA GOSEI CO., LTD. (JP) 2013-09-10 US disclosed
US-20110224380-A1 CROSSLINKER, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD OF THE CROSSLINKED POLYMER MATERIAL TOYODA GOSEI CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224380-A1 CROSSLINKER, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD OF THE CROSSLINKED POLYMER MATERIAL TOYODA GOSEI CO., LTD. (JP) 2011-09-15 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-20110224380-A1 CROSSLINKER, CROSSLINKED POLYMER MATERIAL, AND PRODUCTION METHOD OF THE CROSSLINKED POLYMER MATERIAL DUOX2, PPOX, NOXO1 KCNA3 3749/4885HTR1B 4074/4885TDP1 1667/4885

“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.