SCHEMBL9946067

SCHEMBL9946067

CB(O)c1cc(C)cc(Br)c1OCc1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.45
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR4A2 P43354 2/20 0.40
MAOA P21397 1/20 0.39
IDO1 P14902 2/20 0.39
AGXT P21549 2/20 0.39
PARP10 Q53GL7 1/20 0.39
HTR6 P50406 1/20 0.38
LMNA P02545 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
SCHEMBL9893782 0.94 MAOB (0.48) MAOBTHRATHRBCYP1A2CYP3A4
SCHEMBL9946069 0.88 THRA (0.49) MAOBTHRATHRBMAOAIDO1
SCHEMBL9946068 0.86 THRB (0.42) MAOBTHRATHRBMAPTMAOA
SCHEMBL9893695 0.82 THRA (0.51) MAOBTHRATHRBMAOAIDO1
SCHEMBL9946066 0.82 THRA (0.51) MAOBTHRATHRBCYP1A2CYP3A4
SCHEMBL12440963 0.82 MAOB (0.51) MAOBTHRATHRBMAPTNR4A2
SCHEMBL9893587 0.81 THRB (0.44) MAOBTHRATHRBMAPTMAOA
SCHEMBL3317609 0.80 LIPE (0.50) MAOBTHRATHRBMAPTLMNA
SCHEMBL9893602 0.80 ENPP2 (0.56) MAOBTHRATHRBCYP1A2CYP3A4
SCHEMBL13429911 0.80 MAOB (0.49) MAOBTHRATHRBCYP1A2CYP3A4

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.