SCHEMBL25817250

SCHEMBL25817250

Cc1cc(Br)c(OCc2ccccc2)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.54
THRA P10827 6/20 0.54
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 4/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
PTPN1 P18031 1/20 0.44
MAOB P27338 1/20 0.44
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL1143738 0.87 MAPT (0.56) THRBTHRAMAPTTDP1MAPK1
SCHEMBL1502370 0.81 THRB (0.58) THRBTHRAMAPTTDP1MAPK1
SCHEMBL16018687 0.80 MAPT (0.51) THRBTHRAMAPTTDP1MAPK1
SCHEMBL12440971 0.80 MEN1 (0.55) THRBTHRAMAPTTDP1MAPK1
SCHEMBL24968079 0.80 L3MBTL1 (0.63) MAPTTDP1MAPK1L3MBTL1GAA
SCHEMBL646805 0.78 ALDH1A1 (0.51) THRBTHRAMAPTTDP1GAA
SCHEMBL25817167 0.78 LIPE (0.53) THRBTHRAMAPTTDP1MAPK1
SCHEMBL348875 0.77 MEN1 (0.55) THRBTHRAMAPTTDP1MAPK1
SCHEMBL1539885 0.77 MAPT (0.52) THRBTHRAMAPTTDP1MAPK1
SCHEMBL28598401 0.77 GAA (0.65) THRBTHRAMAPTGAAHPGD

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-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2023-07-06 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-20230212139-A1 2-AZASPIRO[3.4]OCTANE DERIVATIVES AS M4 AGONISTS CHRM2, CHRM1, CHRM3 THRB 222/4885THRA 190/4885MAPT 3879/4885

“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.