SCHEMBL5367727

SCHEMBL5367727

Cc1cc2c(cc1C1(O)CCCc3occc31)C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.38
RXRG P48443 12/20 0.38
RXRB P28702 11/20 0.38
RARG P13631 5/20 0.35
RARB P10826 4/20 0.35
RARA P10276 3/20 0.35
PPARG P37231 2/20 0.34
CYP26A1 O43174 2/20 0.33
MEN1 O00255 1/20 0.33
ABCB11 O95342 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33

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 0.84 RXRA (0.38) RXRARXRGRXRBRARGRARB
SCHEMBL5362030 0.82 RXRA (0.40) RXRARXRGRXRBRARGRARB
SCHEMBL5374698 0.79 RXRA (0.43) RXRARXRGRXRBRARGRARB
SCHEMBL5361705 0.68 RXRA (0.54) RXRARXRGRXRBRARGRARB
SCHEMBL5357009 0.64 RXRA (0.34) RXRARXRGRXRBRARGRARB
SCHEMBL7622765 0.63 RXRA (0.48) RXRARXRGRXRBRARGRARB
SCHEMBL5365386 0.63 RXRA (0.37) RXRARXRGRXRBRARGRARB
SCHEMBL10399178 0.62 TP53 (0.33) RXRARXRGRXRBRARGRARB
SCHEMBL11599145 0.61 RXRA (0.42) RXRARXRGRXRBRARGRARB
SCHEMBL9232669 0.60 MEN1 (0.31) MEN1KMT2A

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