SCHEMBL6908853

SCHEMBL6908853

CCC(C(=O)O)=C(C)C=CCC1(c2cc3c(cc2OCc2ccccc2)C(C)(C)CCC3(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.46
RXRG P48443 8/20 0.46
RARA P10276 3/20 0.45
RARB P10826 3/20 0.45
RARG P13631 3/20 0.45
RXRB P28702 4/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HNF4A P41235 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6917149 0.88 RXRA (0.51) RXRARXRGRARARARBRARG
SCHEMBL6915807 0.85 RXRA (0.47) RXRARXRGRARARARBRARG
SCHEMBL6908851 0.83 RXRA (0.54) RXRARXRGRARARARBRARG
SCHEMBL6917354 0.79 CCNB2 (0.38) RXRARXRGRARARARBRARG
SCHEMBL6915152 0.78 RXRA (0.36) RXRARXRGRARARARBRARG
SCHEMBL8015602 0.77 RXRA (0.69) RXRARXRGRARARARBRARG
SCHEMBL7736028 0.76 RXRA (0.53) RXRARXRGRARARARBRARG
SCHEMBL6916114 0.75 LIPE (0.40) RXRARARBRARGLMNAHNF4A
SCHEMBL7723187 0.74 RXRA (0.70) RXRARXRGRARARARBRARG
SCHEMBL7723183 0.74 RXRA (0.70) RXRARXRGRARARARBRARG

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 3/4885RXRG 1/4885RARA 28/4885

“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.