SCHEMBL26071286

SCHEMBL26071286

[O-][N+]#Cc1c(OCCCCCCCCCC2CO2)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.34
HRH3 Q9Y5N1 8/20 0.34
HTR2A P28223 2/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CNR2 P34972 1/20 0.32
HTR1B P28222 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL2430976 0.87 KCNA3 (0.43) KCNA3HRH3HTR2AHTR7HTR6
SCHEMBL30420586 0.85 KCNA3 (0.36) KCNA3HRH3HTR2AHTR7HTR6
SCHEMBL654398 0.84 ALDH1A1 (0.44) ADRA1DADRA1AADRA1BTDP1GAA
SCHEMBL12290140 0.76 MAPT (0.36) KCNA3TDP1GAAL3MBTL1HTR1B
SCHEMBL26071857 0.75 L3MBTL1 (0.61) KCNA3HRH3HTR2AHTR7HTR6
SCHEMBL10019289 0.74 RIPK1 (0.37) SLC6A4
SCHEMBL26376093 0.74 L3MBTL1 (0.43) KCNA3HRH3HTR2AHTR7HTR6
SCHEMBL29212120 0.74 ALDH1A1 (0.41) TDP1GAAL3MBTL1MEN1KMT2A
SCHEMBL22163963 0.73 ADRA1D (0.36) ADRA1DADRA1AADRA1B
SCHEMBL30267579 0.73 HPGD (0.55) TDP1GAAL3MBTL1CNR2MEN1

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-20230312765-A1 COMPOUND COMPRISING AN EPOXIDE GROUP COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-10-05 US disclosed
CN-115916847-A Grafted elastomers with pendant epoxy groups 米其林集团总公司 2023-04-04 CN 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-20230312765-A1 COMPOUND COMPRISING AN EPOXIDE GROUP F12, EPHX2, C9 KCNA3 644/4885HRH3 115/4885HTR2A 2107/4885

“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.