SCHEMBL4586960

SCHEMBL4586960

CCCCCCOc1c(C(=O)O)cc(C(C)C)cc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.56
PPARG P37231 5/20 0.56
RARG P13631 4/20 0.56
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
RARA P10276 1/20 0.55
RARB P10826 1/20 0.55
PLA2G2A P14555 1/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
PTPN11 Q06124 2/20 0.42
S1PR3 Q99500 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 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
SCHEMBL6908862 0.89 RXRA (0.56) RXRAPPARGRARGRXRBRXRG
SCHEMBL9191371 0.89 RXRA (0.60) RXRAPPARGRARGRXRBRXRG
SCHEMBL4587122 0.86 RXRA (0.51) RXRAPPARGRARGRXRBRXRG
SCHEMBL4586917 0.85 RXRA (0.51) RXRAPPARGRARGRXRBRXRG
SCHEMBL6917610 0.83 RXRA (0.61) RXRAPPARGRARGRXRBRXRG
SCHEMBL4586142 0.81 RXRA (0.62) RXRAPPARGRARGRXRBRXRG
SCHEMBL4586145 0.81 RXRA (0.62) RXRAPPARGRARGRXRBRXRG
SCHEMBL6914091 0.81 RXRA (0.62) RXRAPPARGRARGRXRBRXRG
SCHEMBL6914089 0.81 RXRA (0.62) RXRAPPARGRARGRXRBRXRG
SCHEMBL4586143 0.81 RXRA (0.62) RXRAPPARGRARGRXRBRXRG

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.