SCHEMBL5374698

SCHEMBL5374698

CCCOc1cc2c(cc1C1(O)CCCc3occc31)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.43
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
HNF4A P41235 5/20 0.33
PPARG P37231 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL5365501 0.85 RXRA (0.38) RXRARXRBRXRGRARARARB
SCHEMBL5367727 0.79 RXRA (0.38) RXRARXRBRXRGRARARARB
SCHEMBL5362030 0.74 RXRA (0.40) RXRARXRBRXRGRARARARB
SCHEMBL5372173 0.73 RXRA (0.60) RXRARXRBRXRGRARARARB
SCHEMBL6910139 0.68 RXRA (0.47) RXRARXRBRXRGRARARARB
SCHEMBL6917451 0.66 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL6917447 0.66 RXRA (0.46) RXRARXRBRXRGRARARARB
SCHEMBL5859918 0.66 RXRA (0.59) RXRARXRBRXRGRARARARB
SCHEMBL6477145 0.65 RXRA (0.49) RXRARXRBRXRGRARARARB
SCHEMBL6917408 0.65 RXRA (0.49) RXRARXRBRXRGRARARARB

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
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 1/4885RXRB 2/4885RXRG 3/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG RXRA 2/4885RXRB 1/4885RXRG 3/4885

“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.