SCHEMBL5368463

SCHEMBL5368463

CCCOc1cc2c(cc1C1CCCc3oc(C=CC(=O)O)cc31)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 1.00
RARA P10276 4/20 0.44
RXRB P28702 3/20 0.44
RXRG P48443 3/20 0.44
RARB P10826 2/20 0.44
RARG P13631 2/20 0.44
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5368456 1.00 RXRA (1.00) RXRARARARXRBRXRGRARB
SCHEMBL5361755 0.88 RXRA (1.00) RXRARARARXRBRXRGRARB
SCHEMBL5361764 0.88 RXRA (1.00) RXRARARARXRBRXRGRARB
SCHEMBL5371773 0.87 RXRA (0.77) RXRARARARXRBRXRGRARB
SCHEMBL5363610 0.85 RXRA (0.74) RXRARARARXRBRXRGRARB
SCHEMBL5363613 0.85 RXRA (0.74) RXRARARARXRBRXRGRARB
SCHEMBL5356964 0.83 RXRA (1.00) RXRARARARXRBRXRGRARB
SCHEMBL5356973 0.83 RXRA (1.00) RXRARARARXRBRXRGRARB
SCHEMBL5356750 0.79 RXRA (1.00) RXRARARARARBRARG
SCHEMBL5356754 0.79 RXRA (1.00) RXRARARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198980-A1 Selective rxr ligands SMITHKLINE BEECHAM CORPORATION 2004-10-07 US claimed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP claimed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO claimed
US-20070099991-A1 SELECTIVE RXR LIGANDS HAFFNER CURT D 2007-05-03 US disclosed
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US disclosed
US-20040198980-A1 Selective rxr ligands SMITHKLINE BEECHAM CORPORATION 2004-10-07 US disclosed
EP-1430042-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SmithKline Beecham Corporation (US) 2004-06-23 EP disclosed
WO-2003027090-A2 BICYCLIC HETEROCYCLES AS RXR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 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-20040198980-A1 Selective rxr ligands RXRA, RXRB, RXRG RXRA 1/4885RARA 18/4885RXRB 2/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG RXRA 2/4885RARA 17/4885RXRB 1/4885

“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.