SCHEMBL6915033

SCHEMBL6915033

CC1(C)CCC(C)(C)c2cc3c(C(=O)c4ccc(C(=O)O)cc4)cccc3cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.64
RARB P10826 9/20 0.64
RARG P13631 9/20 0.64
RARA P10276 8/20 0.64
RXRB P28702 4/20 0.64
RXRG P48443 4/20 0.64
HNF4A P41235 2/20 0.56
CYP26A1 O43174 3/20 0.52
CYP26B1 Q9NR63 2/20 0.52
CYP3A4 P08684 1/20 0.52
CRABP2 P29373 1/20 0.52
MEN1 O00255 1/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51
PGR P06401 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51

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
SCHEMBL6913838 0.88 RXRA (0.64) RXRARARBRARGRARARXRB
SCHEMBL7164236 0.86 RXRA (0.66) RXRARARBRARGRARARXRB
SCHEMBL7161703 0.86 RXRA (0.66) RXRARARBRARGRARARXRB
SCHEMBL9051406 0.85 RARB (0.68) RXRARARBRARGRARARXRB
SCHEMBL31191789 0.85 RARB (0.68) RXRARARBRARGRARARXRB
SCHEMBL6909021 0.83 RXRA (0.65) RXRARARBRARGRARARXRB
SCHEMBL6910191 0.82 RXRA (0.64) RXRARARBRARGRARARXRB
SCHEMBL7188398 0.82 PTPN1 (0.46) RXRARARBRARGRARARXRB
SCHEMBL9118211 0.81 RARB (0.44) RXRARARBRARGRARARXRB
SCHEMBL6915720 0.79 RXRA (0.62) RXRARARBRARGRARARXRB

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 3/4885RARB 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.