SCHEMBL9946071

SCHEMBL9946071

CB(C)c1cccc(Br)c1OCc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
IDO1 P14902 2/20 0.45
MAOA P21397 2/20 0.42
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CCR5 P51681 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACHE P22303 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HTR6 P50406 1/20 0.36

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
SCHEMBL9946036 0.76 ESR1 (0.49) MAOBTHRATHRBIDO1MAOA
SCHEMBL9893995 0.75 MAOB (0.51) MAOBTHRATHRBIDO1MAOA
SCHEMBL9946070 0.75 THRB (0.46) MAOBTHRATHRBLMNAMAPT
SCHEMBL9946035 0.74 MAOB (0.46) MAOBTHRATHRBMAOAHTR1A
SCHEMBL28286357 0.73 LIPE (0.58) MAOBTHRATHRBHTR1AADRA1D
SCHEMBL9905525 0.72 MAOB (0.52) MAOBIDO1HTR1AADRA1DADRA1A
SCHEMBL30463386 0.72 IDO1 (0.56) MAOBTHRATHRBIDO1MAOA
SCHEMBL12432155 0.71 MAOB (0.59) MAOBTHRATHRBIDO1MAOA
SCHEMBL9946069 0.70 THRA (0.49) MAOBTHRATHRBIDO1MAOA
SCHEMBL12440955 0.70 MAOB (0.56) MAOBTHRATHRBIDO1MAOA

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MAOB 780/4885THRA 1584/4885THRB 898/4885

“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.