SCHEMBL9946086

SCHEMBL9946086

Cc1cccc(COc2c(C)cc(C(C)C)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.49
IDO1 P14902 2/20 0.49
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MAOA P21397 2/20 0.44
FFAR4 Q5NUL3 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.42
FFAR1 O14842 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
LMNA P02545 1/20 0.40
ACHE P22303 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL14199939 0.85 GLRA1 (0.49) MAOBMAOAMRGPRX4HTR1AADRA1D
SCHEMBL9946084 0.82 MAOB (0.42) MAOBIDO1THRATHRBMAOA
SCHEMBL9946064 0.82 MAOB (0.47) MAOBIDO1THRATHRBMAOA
SCHEMBL9946034 0.82 FFAR4 (0.55) MAOBIDO1MAOAFFAR4MRGPRX4
SCHEMBL9946057 0.75 MAOB (0.60) MAOBIDO1MAOAMRGPRX4FFAR1
SCHEMBL30463386 0.75 IDO1 (0.56) MAOBIDO1THRATHRBMAOA
SCHEMBL9946085 0.74 THRA (0.44) MAOBTHRATHRBMAOAFFAR1
SCHEMBL22537583 0.74 IDO1 (0.51) MAOBIDO1MAOAMRGPRX4FFAR1
SCHEMBL3762036 0.74 HTR1A (0.49) MAOBIDO1MAOAMRGPRX4FFAR1
SCHEMBL6957559 0.74 MRGPRX4 (0.54) MAOBIDO1FFAR4MRGPRX4

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 780/4885IDO1 2748/4885THRA 1584/4885

“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.