SCHEMBL4585863

SCHEMBL4585863

CCCCCCOc1c(C(C)=CC#N)cc(C(C)C)cc1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.53
PPARG P37231 11/20 0.53
RARG P13631 7/20 0.53
RARA P10276 5/20 0.48
RXRB P28702 5/20 0.48
RXRG P48443 5/20 0.48
RARB P10826 4/20 0.48
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL4585853 1.00 RXRA (0.53) RXRAPPARGRARGRARARXRB
SCHEMBL4585861 1.00 RXRA (0.53) RXRAPPARGRARGRARARXRB
SCHEMBL6917046 1.00 RXRA (0.53) RXRAPPARGRARGRARARXRB
SCHEMBL6917051 1.00 RXRA (0.53) RXRAPPARGRARGRARARXRB
SCHEMBL6914089 0.82 RXRA (0.62) RXRAPPARGRARGRARARXRB
SCHEMBL4586145 0.82 RXRA (0.62) RXRAPPARGRARGRARARXRB
SCHEMBL4586143 0.82 RXRA (0.62) RXRAPPARGRARGRARARXRB
SCHEMBL6914091 0.82 RXRA (0.62) RXRAPPARGRARGRARARXRB
SCHEMBL4586142 0.82 RXRA (0.62) RXRAPPARGRARGRARARXRB
SCHEMBL6908862 0.80 RXRA (0.56) RXRAPPARGRARGRARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1453496-A4 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY ALLERGAN INC (US) 2008-10-08 EP disclosed
US-20050004165-A1 Composition and method for modulating BAR/FXR receptor activity FORMAN BARRY M (US) 2005-01-06 US disclosed
EP-1453496-A2 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY Allergan, Inc. (US) 2004-09-08 EP disclosed
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity ALLERGAN SALES, INC. 2003-07-31 US disclosed
WO-2003043581-A2 COMPOSITION AND METHOD FOR MODULATING BAR/FXR RECEPTOR ACTIVITY ALLERGAN, INC. (US) 2003-05-30 WO 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 35/4885PPARG 96/4885RARG 150/4885
US-20030144360-A1 Composition and method for modulating BAR/FXR receptor activity NR1H4, FXR1, GPBAR1 RXRA 35/4885PPARG 96/4885RARG 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.