SCHEMBL6917792

SCHEMBL6917792

CCCCCCCOc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.57
HNF4A P41235 4/20 0.55
PPARG P37231 1/20 0.55
NR1H3 Q13133 1/20 0.55
RXRB P28702 3/20 0.51
RXRG P48443 3/20 0.51
RARA P10276 2/20 0.51
RARB P10826 2/20 0.51
RARG P13631 2/20 0.51
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6913948 1.00 RXRA (0.57) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL6916820 0.99 RXRA (0.58) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL727284 0.90 RXRA (0.60) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL8461877 0.87 RXRA (0.65) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL6917087 0.86 RXRA (0.51) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL8608272 0.85 RXRA (0.45) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL6909578 0.84 RXRA (0.64) RXRAHNF4ARXRBRXRGRARA
SCHEMBL8951005 0.84 RXRA (0.44) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL8951037 0.84 RXRA (0.44) RXRAHNF4APPARGNR1H3RXRB
SCHEMBL8951009 0.84 RXRA (0.43) RXRAHNF4APPARGNR1H3RXRB

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 6 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-0963981-A1 Biaryl heterocyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses thereof Galderma Research & Development, S.N.C. (FR) 1999-12-15 EP 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 118/4885PPARG 15/4885

“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.