SCHEMBL6916396

SCHEMBL6916396

C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1CCC)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 1.00
RARB P10826 7/20 0.68
RARG P13631 6/20 0.68
RXRB P28702 6/20 0.68
RXRG P48443 6/20 0.68
RARA P10276 4/20 0.68
MEN1 O00255 1/20 0.68
CYP26A1 O43174 1/20 0.68
ABCB11 O95342 1/20 0.68
ESR1 P03372 1/20 0.68
PGR P06401 1/20 0.68
HTR1A P08908 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CHRM1 P11229 1/20 0.68
DRD1 P21728 1/20 0.68
TBXA2R P21731 1/20 0.68
SLC6A2 P23975 1/20 0.68
ADRA1A P35348 1/20 0.68
OPRM1 P35372 1/20 0.68

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
SCHEMBL1073916 0.91 RXRA (1.00) RXRARARBRARGRXRBRXRG
SCHEMBL1269026 0.87 RXRA (1.00) RXRARARBRARGRXRBRXRG
SCHEMBL6909570 0.87 RXRA (0.77) RXRARARBRARGRXRBRXRG
SCHEMBL6913706 0.83 RXRA (0.74) RXRARARBRARGRXRBRXRG
Bexarotene SCHEMBL5322954 0.81 RXRA (1.00) RXRARARBRARGRXRBRXRG
Bexarotene SCHEMBL29412584 0.81 RXRA (1.00) RXRARARBRARGRXRBRXRG
Bexarotene SCHEMBL9025 0.81 RXRA (1.00) RXRARARBRARGRXRBRXRG
SCHEMBL2890394 0.81 RARB (0.85) RXRARARBRARGRXRBRXRG
SCHEMBL2890391 0.81 RARB (0.85) RXRARARBRARGRXRBRXRG
SCHEMBL7158145 0.81 RXRA (0.70) RXRARARBRARGRXRBRXRG

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 8 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

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.