SCHEMBL30000403

SCHEMBL30000403

COc1cc2c(cc1OCc1ccccc1)CCN1Cc3c(ccc(OC)c3OS(=O)(=O)c3cccc(F)c3)C(C)C21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CHRNA7 P36544 2/20 0.41
F3 P13726 2/20 0.40
CYP3A4 P08684 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
P2RX7 Q99572 1/20 0.38
DPP4 P27487 1/20 0.38

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
SCHEMBL910498 1.00 MAOB (0.56) MAOBADRA1DADRA1AADRA1BLMNA
SCHEMBL909978 0.92 MAOB (0.49) MAOBADRA1DADRA1AADRA1BSCN5A
SCHEMBL29999817 0.92 MAOB (0.49) MAOBADRA1DADRA1AADRA1BSCN5A
SCHEMBL910446 0.87 MAOB (0.71) MAOBLMNATSHRF3CYP3A4
SCHEMBL29999638 0.87 MAOB (0.71) MAOBLMNATSHRF3CYP3A4
SCHEMBL910873 0.86 MAOB (0.58) MAOBADRA1DADRA1AADRA1BLMNA
SCHEMBL29999161 0.86 MAOB (0.58) MAOBADRA1DADRA1AADRA1BLMNA
SCHEMBL910911 0.85 MAOB (0.54) MAOBLMNATSHRF3CYP3A4
SCHEMBL30000276 0.85 MAOB (0.54) MAOBLMNATSHRF3CYP3A4
SCHEMBL12943250 0.83 MAOB (0.66) MAOBLMNATSHRF3CYP3A4

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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A MAOB 1008/4885ADRA1D 2367/4885ADRA1A 1340/4885

“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.