SCHEMBL9946069

SCHEMBL9946069

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
NR3C2 P08235 1/20 0.49
AR P10275 1/20 0.49
MAOB P27338 12/20 0.47
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MAOA P21397 3/20 0.41
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
PARP14 Q460N5 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL9893695 0.92 THRA (0.51) THRATHRBESR1NR3C1PGR
SCHEMBL9946067 0.88 MAOB (0.45) THRATHRBMAOBIDO1AGXT
SCHEMBL9946036 0.85 ESR1 (0.49) THRATHRBESR1NR3C1PGR
SCHEMBL9946066 0.84 THRA (0.51) THRATHRBMAOBAGXTPARP10
SCHEMBL12440978 0.81 THRA (0.56) THRATHRBESR1NR3C1PGR
SCHEMBL9893782 0.81 MAOB (0.48) THRATHRBMAOBIDO1AGXT
SCHEMBL9946068 0.81 THRB (0.42) THRATHRBMAOBMAOAFFAR1
SCHEMBL3317609 0.80 LIPE (0.50) THRATHRBMAOB
SCHEMBL9893995 0.80 MAOB (0.51) THRATHRBESR1NR3C1PGR
SCHEMBL9893602 0.80 ENPP2 (0.56) THRATHRBESR1NR3C1PGR

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 THRA 1584/4885THRB 898/4885ESR1 929/4885

“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.