SCHEMBL6915944

SCHEMBL6915944

CCCCCCCOc1cc2c(cc1C(=NO)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.75
HNF4A P41235 5/20 0.75
RXRG P48443 6/20 0.63
RXRB P28702 5/20 0.63
PPARG P37231 1/20 0.55
NR1H3 Q13133 1/20 0.55

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
SCHEMBL6914689 1.00 RXRA (0.75) RXRAHNF4ARXRGRXRBPPARG
SCHEMBL6910041 0.92 RXRA (0.69) RXRAHNF4ARXRGRXRB
SCHEMBL6913939 0.87 RXRA (0.76) RXRAHNF4ARXRGRXRBPPARG
SCHEMBL6917337 0.86 RXRA (0.73) RXRAHNF4ARXRGRXRB
SCHEMBL6915182 0.85 RXRA (0.69) RXRAHNF4ARXRGRXRBPPARG
SCHEMBL6915045 0.83 RXRA (0.81) RXRAHNF4ARXRGRXRB
SCHEMBL6913487 0.83 RXRA (0.65) RXRAHNF4ARXRGRXRB
SCHEMBL6917253 0.83 RXRA (0.65) RXRAHNF4ARXRGRXRB
SCHEMBL8898043 0.83 RXRA (0.65) RXRAHNF4ARXRGRXRB
SCHEMBL6917123 0.82 RXRA (0.70) RXRAHNF4ARXRGRXRB

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-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US claimed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP claimed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP claimed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO claimed
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 3/4885HNF4A 118/4885RXRG 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.