SCHEMBL6908856

SCHEMBL6908856

CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)c(OCc3ccccc3)cc21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.64
RXRB P28702 5/20 0.64
RXRG P48443 3/20 0.64
CYP26A1 O43174 4/20 0.60
CYP26B1 Q9NR63 4/20 0.60
HNF4A P41235 3/20 0.51
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6915899 0.81 RXRA (0.76) RXRARXRBRXRGHNF4ANR4A1
SCHEMBL16926940 0.79 RXRA (1.00) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6915796 0.78 RXRA (0.65) RXRARXRBRXRGHNF4ANR4A1
SCHEMBL30218800 0.76 RXRA (1.00) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL2807932 0.76 RXRA (1.00) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6913487 0.75 RXRA (0.65) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL6917253 0.75 RXRA (0.65) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL8898043 0.75 RXRA (0.65) RXRARXRBRXRGCYP26A1CYP26B1
Ammonia Solution, Strong SCHEMBL8706695 0.75 RXRA (0.97) RXRARXRBRXRGCYP26A1CYP26B1
Ammonia Solution, Strong SCHEMBL8706692 0.75 RXRA (0.97) RXRARXRBRXRGCYP26A1CYP26B1

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
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 3/4885RXRB 2/4885RXRG 1/4885

“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.