SCHEMBL9946035

SCHEMBL9946035

CB(O)c1cccc(Br)c1OCc1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
LIPE Q05469 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOA P21397 1/20 0.37
KMT2A Q03164 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 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
SCHEMBL9946066 0.83 THRA (0.51) MAOBTHRATHRBMAPTALDH1A1
SCHEMBL9946036 0.82 ESR1 (0.49) MAOBTHRATHRBMAOAPARP10
SCHEMBL28286357 0.79 LIPE (0.58) MAOBTHRATHRBLIPEMAPT
SCHEMBL9893572 0.78 MAOB (0.47) MAOBLIPEMAPTALDH1A1LMNA
SCHEMBL9893996 0.78 KMT2A (0.46) MAOBTHRBLIPEMAPTALDH1A1
SCHEMBL9945984 0.75 THRA (0.40) THRATHRBALDH1A1SMN1; SMN2KMT2A
SCHEMBL9946071 0.74 MAOB (0.51) MAOBTHRATHRBMAPTLMNA
SCHEMBL9946068 0.74 THRB (0.42) MAOBTHRATHRBMAPTALDH1A1
SCHEMBL9946069 0.73 THRA (0.49) MAOBTHRATHRBMAOAPARP10
SCHEMBL9893995 0.72 MAOB (0.51) MAOBTHRATHRBLIPEMAOA

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.