SCHEMBL6915899

SCHEMBL6915899

CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(OCc3ccccc3)cc21

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.76
HNF4A P41235 4/20 0.76
RARB P10826 3/20 0.62
RARG P13631 3/20 0.62
RXRB P28702 3/20 0.62
RXRG P48443 3/20 0.62
RARA P10276 2/20 0.62
SRD5A2 P31213 1/20 0.56
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52

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
SCHEMBL6917001 0.89 RXRA (0.67) RXRAHNF4ARARBRARGRXRB
SCHEMBL7174242 0.89 RXRA (0.60) RXRAHNF4ARARBRARGRXRB
SCHEMBL6915796 0.87 RXRA (0.65) RXRAHNF4ARARBRARGRXRB
SCHEMBL7173098 0.87 RXRA (0.57) RXRAHNF4ARARBRARGRXRB
SCHEMBL6917253 0.86 RXRA (0.65) RXRAHNF4ARXRBRXRG
SCHEMBL6913487 0.86 RXRA (0.65) RXRAHNF4ARXRBRXRG
SCHEMBL8898043 0.86 RXRA (0.65) RXRAHNF4ARXRBRXRG
SCHEMBL6914152 0.86 RXRA (1.00) RXRAHNF4ARARBRARGRXRB
SCHEMBL6909567 0.84 RXRA (0.69) RXRAHNF4ARXRBRXRG
SCHEMBL6910100 0.84 RXRA (0.69) RXRAHNF4ARXRBRXRG

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 3/4885HNF4A 118/4885RARB 27/4885

“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.