SCHEMBL25533461

SCHEMBL25533461

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
CYP24A1 Q07973 1/20 0.34
CNR2 P34972 3/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
NR4A1 P22736 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
SCHEMBL7928983 0.89 ALOX15 (0.46) ALOX15ALOX12SMN1; SMN2CYP24A1CNR2
SCHEMBL7928980 0.89 ALOX15 (0.46) ALOX15ALOX12SMN1; SMN2CYP24A1CNR2
SCHEMBL7940402 0.89 ALOX15 (0.46) ALOX15ALOX12SMN1; SMN2CYP24A1CNR2
SCHEMBL7937093 0.87 ADRB2 (0.42) ALOX15ALOX12SMN1; SMN2CYP24A1HTT
SCHEMBL25516130 0.86 CNR2 (0.36) ALOX15ALOX12SMN1; SMN2CYP24A1CNR2
SCHEMBL25516127 0.86 CNR2 (0.36) ALOX15ALOX12SMN1; SMN2CYP24A1CNR2
SCHEMBL25516141 0.86 CNR2 (0.36) ALOX15ALOX12SMN1; SMN2CYP24A1CNR2
SCHEMBL8431879 0.84 SMN1; SMN2 (0.45) ALOX15ALOX12SMN1; SMN2CYP24A1CNR2
SCHEMBL7938209 0.84 HTT (0.39) ALOX15ALOX12SMN1; SMN2CYP24A1HTT
SCHEMBL7938203 0.84 HTT (0.39) ALOX15ALOX12SMN1; SMN2CYP24A1HTT

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-20230150966-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) 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-20230150966-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF SLC6A3, DBH, PNMT ALOX15 3744/4885ALOX12 3946/4885SMN1; SMN2 303/4885

“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.