SCHEMBL9946036

SCHEMBL9946036

CB(O)c1cccc(Br)c1OCc1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
MAOB P27338 11/20 0.49
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
MAOA P21397 3/20 0.43
PARP15 Q460N3 3/20 0.43
PARP10 Q53GL7 2/20 0.43
PARP14 Q460N5 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL9893995 0.92 MAOB (0.51) ESR1NR3C1PGRNR3C2AR
SCHEMBL9946069 0.85 THRA (0.49) ESR1NR3C1PGRNR3C2AR
SCHEMBL9946035 0.82 MAOB (0.46) THRATHRBMAOBAGXTMAOA
SCHEMBL12440955 0.81 MAOB (0.56) ESR1NR3C1PGRNR3C2AR
SCHEMBL9893695 0.80 THRA (0.51) ESR1NR3C1PGRNR3C2AR
SCHEMBL28286357 0.78 LIPE (0.58) THRATHRBMAOBENPP2
SCHEMBL9905525 0.77 MAOB (0.52) MAOBIDO1AGXTENPP2
SCHEMBL9946071 0.76 MAOB (0.51) THRATHRBMAOBIDO1MAOA
SCHEMBL5668021 0.75 MAOB (0.57) ESR1NR3C1PGRNR3C2AR
SCHEMBL12514199 0.75 MAOB (0.53) ESR1NR3C1PGRNR3C2AR

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 ESR1 929/4885NR3C1 149/4885PGR 1416/4885

“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.