SCHEMBL5360656

SCHEMBL5360656

CC1(C)CCC(C)(C)c2cc(C3(O)CCCc4sccc43)ccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.44
CYP26B1 Q9NR63 6/20 0.43
CYP26A1 O43174 5/20 0.43
RXRB P28702 7/20 0.40
RXRG P48443 6/20 0.37
CYP3A4 P08684 1/20 0.37
RARB P10826 4/20 0.37
RARG P13631 3/20 0.37
RARA P10276 1/20 0.36

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
SCHEMBL3366863 0.78 SLC6A4 (0.38)
SCHEMBL5362030 0.75 RXRA (0.40) RXRACYP26B1CYP26A1RXRBRXRG
SCHEMBL7519149 0.74 USP2 (0.36) RXRARXRBRXRG
SCHEMBL11490466 0.71 MEN1 (0.34)
SCHEMBL8865352 0.70 SIGMAR1 (0.31)
SCHEMBL5365386 0.69 RXRA (0.37) RXRACYP26B1CYP26A1RXRBRXRG
SCHEMBL24129611 0.65 MEN1 (0.32)
SCHEMBL12644093 0.65 USP2 (0.34)
SCHEMBL5356768 0.64 RXRA (0.57) RXRACYP3A4RARBRARG
SCHEMBL28608144 0.62 RXRA (0.47) RXRACYP26B1CYP26A1RXRBRXRG

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 1/4885CYP26B1 268/4885CYP26A1 315/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG RXRA 2/4885CYP26B1 285/4885CYP26A1 374/4885

“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.