SCHEMBL6516792

SCHEMBL6516792

Cc1cc2c(cc1/C(=C/c1ccc(C(=O)O)cc1)[Si](C)(C)C)C(C)(C)CCC2(C)C.[Mn+4].[O-2].[O-2]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.69
RARB P10826 15/20 0.69
RARG P13631 15/20 0.69
RARA P10276 12/20 0.69
RXRB P28702 7/20 0.69
RXRG P48443 7/20 0.69
CYP26A1 O43174 2/20 0.57
RECQL P46063 2/20 0.57
BLM P54132 2/20 0.57
MEN1 O00255 1/20 0.57
ABCB11 O95342 1/20 0.57
ESR1 P03372 1/20 0.57
PGR P06401 1/20 0.57
HTR1A P08908 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57

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
SCHEMBL6260299 0.98 RXRA (0.72) RXRARARBRARGRARARXRB
SCHEMBL6260306 0.98 RXRA (0.72) RXRARARBRARGRARARXRB
SCHEMBL6429289 0.83 RXRA (0.53) RXRARARBRARGRARARXRB
SCHEMBL27582113 0.83 RXRA (0.53) RXRARARBRARGRARARXRB
SCHEMBL6258870 0.83 RARB (0.70) RXRARARBRARGRARARXRB
SCHEMBL6258868 0.83 RARB (0.70) RXRARARBRARGRARARXRB
SCHEMBL6429291 0.82 RXRA (0.54) RXRARARBRARGRARARXRB
SCHEMBL3301839 0.82 RARB (1.00) RXRARARBRARGRARARXRB
SCHEMBL5084708 0.82 RARB (1.00) RXRARARBRARGRARARXRB
SCHEMBL3301842 0.82 RARB (1.00) RXRARARBRARGRARARXRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004165-A1 Composition and method for modulating BAR/FXR receptor activity FORMAN BARRY M (US) 2005-01-06 US disclosed
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity ALLERGAN SALES, INC. 2003-07-31 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 (2 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-20050004165-A1 Composition and method for modulating BAR/FXR receptor activity NR1H4, FXR1, GPBAR1 RXRA 35/4885RARB 181/4885RARG 150/4885
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity NR1H4, FXR1, GPBAR1 RXRA 35/4885RARB 181/4885RARG 150/4885

“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.