SCHEMBL5365367

SCHEMBL5365367

COc1cc2c(cc1C1CCCc3occc31)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.57
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP19A1 P11511 1/20 0.31
TBXAS1 P24557 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRNA7 P36544 1/20 0.30

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
SCHEMBL5372173 0.85 RXRA (0.60) RXRAMEN1KMT2A
SCHEMBL5361705 0.84 RXRA (0.54) RXRAMEN1KMT2ACYP19A1TBXAS1
SCHEMBL5365361 0.79 RXRA (0.56) RXRAMEN1KMT2ACYP19A1TBXAS1
SCHEMBL5359395 0.77 RXRA (0.75) RXRA
SCHEMBL5361764 0.73 RXRA (1.00) RXRA
SCHEMBL5361755 0.73 RXRA (1.00) RXRA
SCHEMBL5365501 0.70 RXRA (0.38) RXRA
SCHEMBL15348324 0.66 RXRA (0.51) RXRAALDH1A1
SCHEMBL5371773 0.65 RXRA (0.77) RXRA
Acetaldehyde SCHEMBL8008018 0.65 RXRA (0.44) RXRA

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 1/4885MEN1 4876/4885KMT2A 2862/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG RXRA 2/4885MEN1 4873/4885KMT2A 2821/4885

“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.