SCHEMBL5359377

SCHEMBL5359377

CC1(C)CCC(C)(C)c2cc(Cc3csc(C4OCCO4)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 2/20 0.46
CYP26B1 Q9NR63 9/20 0.44
CYP26A1 O43174 8/20 0.44
RARA P10276 3/20 0.41
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
CYP3A4 P08684 1/20 0.33
PPARG P37231 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
SCHEMBL5362045 0.76 RXRA (0.52) RXRARXRBRXRGCYP26B1CYP26A1
Ammonia Solution, Strong SCHEMBL28621254 0.74 NPC1 (0.37) CYP3A4
SCHEMBL5357226 0.73 RXRA (0.49) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL5357459 0.73 RXRA (0.56) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL5360894 0.68 RXRA (0.62) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL5360900 0.68 RXRA (0.62) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL9454412 0.67
SCHEMBL17398526 0.67
SCHEMBL24259977 0.66 CYP26B1 (0.67) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL3176733 0.65 RXRA (0.54) RXRARXRBRXRGCYP26B1CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7173134-B2 Selective RXR ligands SMITHKLINE BEECHAM CORPORATION (US) 2007-02-06 US claimed
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 1/4885RXRB 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.