SCHEMBL5356768

SCHEMBL5356768

CC1(C)CCC(C)(C)c2cc(C3CCCc4sccc43)ccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.57
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
THPO P40225 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GID4 Q8IVV7 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
SCHEMBL5366480 0.78 RXRA (0.74) RXRARARBRARG
SCHEMBL5365361 0.78 RXRA (0.56) RXRARARBRARGGID4
SCHEMBL11972729 0.73 ADRA2A (0.46) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL5356221 0.73 RXRA (1.00) RXRARARBRARGCYP3A4
SCHEMBL5360991 0.73 RXRA (1.00) RXRARARBRARGCYP3A4
SCHEMBL5356229 0.73 RXRA (1.00) RXRARARBRARGCYP3A4
SCHEMBL5361615 0.71 RXRA (0.74) RXRARARBRARG
SCHEMBL5356759 0.70 RXRA (0.78) RXRARARBRARG
SCHEMBL18810175 0.68 RARB (0.47) RXRARARBRARGNPC1RAB9A
SCHEMBL5356737 0.68 RXRA (0.66) RXRARARBRARG

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 1/4885ADRA2A 211/4885ADRA2B 193/4885
US-20070099991-A1 SELECTIVE RXR LIGANDS RXRB, RXRA, RXRG RXRA 2/4885ADRA2A 159/4885ADRA2B 127/4885

“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.