SCHEMBL25516103

SCHEMBL25516103

BC1(B)Oc2ccc(CC(O)CC)cc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
ALOX12 P18054 1/20 0.43
CYP3A4 P08684 2/20 0.42
ADRB2 P07550 3/20 0.34
ADRB3 P13945 3/20 0.34
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
TAAR1 Q96RJ0 3/20 0.33
SLC6A4 P31645 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL25516115 1.00 ALOX15 (0.43) ALOX15ALOX12CYP3A4ADRB2ADRB3
SCHEMBL25516089 1.00 ALOX15 (0.43) ALOX15ALOX12CYP3A4ADRB2ADRB3
SCHEMBL25533453 0.84 ALOX15 (0.49) ALOX15ALOX12CYP3A4ADRB2ADRB3
SCHEMBL25515853 0.79 HTR1B (0.49) ALOX15ALOX12TAAR1SLC6A4SLC6A2
SCHEMBL25515850 0.79 HTR1B (0.49) ALOX15ALOX12TAAR1SLC6A4SLC6A2
SCHEMBL25515846 0.79 HTR1B (0.49) ALOX15ALOX12TAAR1SLC6A4SLC6A2
SCHEMBL25533494 0.78 TAAR1 (0.57) ALOX15ALOX12TAAR1SLC6A4SLC6A2
SCHEMBL26060350 0.78 TAAR1 (0.57) ALOX15ALOX12TAAR1SLC6A4SLC6A2
SCHEMBL25516065 0.77 ALOX15 (0.37) ALOX15ALOX12TAAR1SLC6A4SLC6A2
SCHEMBL25515896 0.77 ALOX15 (0.37) ALOX15ALOX12TAAR1SLC6A4SLC6A2

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 ALOX15 1345/4885ALOX12 1283/4885CYP3A4 785/4885

“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.