SCHEMBL31748950

SCHEMBL31748950

O=C1c2ccc(OCc3ccccc3)cc2CCC1c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.61
MAOA P21397 9/20 0.61
HRH3 Q9Y5N1 6/20 0.55
CYP2D6 P10635 3/20 0.53
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
NFKB1 P19838 1/20 0.52
GRM5 P41594 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
TOP1 P11387 1/20 0.50
CYP24A1 Q07973 1/20 0.47
HRH1 P35367 1/20 0.47

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
SCHEMBL31683484 0.92 MAOB (0.56) MAOBMAOAHRH3CYP2D6NPC1
SCHEMBL31683615 0.90 MAOB (0.56) MAOBMAOAHRH3CYP2D6NPC1
SCHEMBL227895 0.85 MAOB (0.61) MAOBMAOAHRH3CYP2D6NPC1
SCHEMBL31683674 0.84 MAOB (0.55) MAOBMAOAHRH3CYP2D6NPC1
SCHEMBL4366122 0.83 CYP24A1 (0.60) MAOBALDH1A1SMN1; SMN2CYP24A1
SCHEMBL15874767 0.83 CYP24A1 (0.60) MAOBALDH1A1SMN1; SMN2CYP24A1
SCHEMBL8199928 0.82 MAOB (0.55) MAOBMAOAHRH3NPC1ALDH1A1
SCHEMBL8200931 0.81 ITGB3 (0.58) MAOBMAOAHRH3NPC1ALDH1A1
SCHEMBL29092251 0.80 MAOB (0.58) MAOBMAOAHRH3CYP2D6NPC1
SCHEMBL6491492 0.79 ADRA1D (0.54) MAOBMAOAHRH3CYP2D6ITGB3

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-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-12-25 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-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF ESRRA, ESRRB, ESR2 MAOB 958/4885MAOA 841/4885HRH3 1758/4885

“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.