SCHEMBL6910086

SCHEMBL6910086

CCCCOc1cc2c(cc1C=Cc1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.50
RARB P10826 4/20 0.50
RARG P13631 4/20 0.50
RXRA P19793 10/20 0.49
CYP3A4 P08684 3/20 0.48
CYP26A1 O43174 2/20 0.45
HNF4A P41235 3/20 0.45
VDR P11473 2/20 0.43
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.41
NR1H3 Q13133 1/20 0.41

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
SCHEMBL6915866 0.89 RARA (0.64) RARARARBRARGRXRAHNF4A
SCHEMBL7124972 0.87 RARA (0.61) RARARARBRARGRXRAHNF4A
SCHEMBL7124980 0.87 RARA (0.61) RARARARBRARGRXRAHNF4A
SCHEMBL6915189 0.86 RARA (0.60) RARARARBRARGRXRAHNF4A
SCHEMBL10843882 0.85 RARA (0.50) RARARARBRARGRXRACYP3A4
SCHEMBL10843886 0.85 RARA (0.50) RARARARBRARGRXRACYP3A4
SCHEMBL7207884 0.85 RARB (0.64) RARARARBRARGRXRACYP3A4
SCHEMBL7207880 0.85 RARB (0.64) RARARARBRARGRXRACYP3A4
SCHEMBL10844148 0.83 RARA (0.48) RARARARBRARGRXRACYP3A4
SCHEMBL10841056 0.83 RARA (0.48) RARARARBRARGRXRACYP3A4

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 RARA 28/4885RARB 27/4885RARG 25/4885

“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.