SCHEMBL6915730

SCHEMBL6915730

CCOc1cc2c(cc1C(C)=CC#N)C(C)(C)CCC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.55
RARA P10276 4/20 0.55
RARB P10826 4/20 0.55
RARG P13631 4/20 0.55
RXRB P28702 4/20 0.55
RXRG P48443 4/20 0.55
HNF4A P41235 9/20 0.50
PDE4A P27815 4/20 0.39
PDE4B Q07343 4/20 0.39
PDE4C Q08493 4/20 0.39
PDE4D Q08499 4/20 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
SCHEMBL6915727 1.00 RXRA (0.55) RXRARARARARBRARGRXRB
SCHEMBL1140643 0.90 RXRA (0.56) RXRARARARARBRARGRXRB
SCHEMBL1140687 0.90 RXRA (0.56) RXRARARARARBRARGRXRB
SCHEMBL6913864 0.87 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL6913861 0.87 RXRA (0.49) RXRARARARARBRARGRXRB
SCHEMBL6917516 0.86 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL6917805 0.86 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL6917806 0.86 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL6917514 0.86 RXRA (0.48) RXRARARARARBRARGRXRB
SCHEMBL6917004 0.86 RXRA (0.42) RXRARARARARBRARGRXRB

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 3/4885RARA 28/4885RARB 27/4885

“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.