SCHEMBL6917258

SCHEMBL6917258

CC(=O)c1cc2c(cc1OCc1ccc(C(C)(C)C)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.46
RXRB P28702 2/20 0.46
NR4A2 P43354 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 1/20 0.45
HNF4A P41235 3/20 0.44
RXRG P48443 1/20 0.44
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
APP P05067 1/20 0.41
CYP26A1 O43174 1/20 0.41
CYP26B1 Q9NR63 1/20 0.41
MAOB P27338 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
SCN9A Q15858 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL6915771 0.86 MAOB (0.49) RXRARXRBL3MBTL1HNF4ARXRG
SCHEMBL6917161 0.86 MAOB (0.55) RXRARXRBL3MBTL1HNF4ARXRG
SCHEMBL6916157 0.85 RXRA (0.47) RXRARAB9AHNF4AMAOB
SCHEMBL6917001 0.84 RXRA (0.67) RXRARXRBNR4A2HNF4ARXRG
SCHEMBL6913428 0.82 RXRA (0.53) RXRARXRBNR4A2HNF4ARXRG
SCHEMBL6915315 0.82 RXRA (0.53) RXRARXRBNR4A2L3MBTL1RAB9A
SCHEMBL6914083 0.82 XDH (0.38) RXRARXRBNR4A2L3MBTL1RAB9A
SCHEMBL6914085 0.82 XDH (0.38) RXRARXRBNR4A2L3MBTL1RAB9A
SCHEMBL6913425 0.81 RXRA (0.58) RXRARXRBNR4A2HNF4ARXRG
SCHEMBL7196026 0.80 RXRA (0.69) RXRARXRBRXRG

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-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 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 (1 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA RXRA 3/4885RXRB 2/4885NR4A2 7/4885

“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.