SCHEMBL25516141

SCHEMBL25516141

BC1(B)Oc2ccc(C[C@H](CC)OS(=O)(=O)c3ccc(C)cc3)cc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
CYP24A1 Q07973 1/20 0.33
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR1 P21554 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL25516127 1.00 CNR2 (0.36) CNR2SMN1; SMN2CYP24A1HTTLMNA
SCHEMBL25516130 1.00 CNR2 (0.36) CNR2SMN1; SMN2CYP24A1HTTLMNA
SCHEMBL25533461 0.86 ALOX15 (0.35) CNR2SMN1; SMN2CYP24A1HTTLMNA
SCHEMBL25193264 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HTTLMNAMAPTTP53
SCHEMBL25515343 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HTTLMNAMAPTTP53
SCHEMBL25193261 0.82 SMN1; SMN2 (0.49) SMN1; SMN2HTTLMNAMAPTTP53
SCHEMBL30407572 0.80 SMN1; SMN2 (0.43) SMN1; SMN2HTTLMNAMAPTTP53
SCHEMBL7940402 0.76 ALOX15 (0.46) CNR2SMN1; SMN2CYP24A1HTTLMNA
SCHEMBL7928980 0.76 ALOX15 (0.46) CNR2SMN1; SMN2CYP24A1HTTLMNA
SCHEMBL7928983 0.76 ALOX15 (0.46) CNR2SMN1; SMN2CYP24A1HTTLMNA

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-20230150965-A1 ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES INC (US) 2023-05-18 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-20230150965-A1 ISOTOPICALLY ENRICHED N-METHYL-1,3-BENZODIOXOLYLBUTANAMINE (MBDB) AND STEREOISOMERS THEREOF DBH, PNMT, MBTD1 CNR2 497/4885SMN1; SMN2 54/4885CYP24A1 1322/4885

“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.