SCHEMBL6915315

SCHEMBL6915315

COC(=O)c1ccc(C(=O)c2cc3c(cc2OCc2ccc(C(C)(C)C)cc2)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.53
HNF4A P41235 4/20 0.53
CYP3A4 P08684 4/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
RXRB P28702 3/20 0.45
NR4A2 P43354 1/20 0.45
CYP26A1 O43174 2/20 0.44
MAPT P10636 2/20 0.43
RXRG P48443 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42

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
SCHEMBL6913428 0.90 RXRA (0.53) RXRAHNF4ARXRBNR4A2RXRG
SCHEMBL6917001 0.90 RXRA (0.67) RXRAHNF4ARXRBNR4A2RXRG
SCHEMBL6910117 0.88 RXRA (0.55) RXRAHNF4ACYP3A4RXRBCYP26A1
SCHEMBL6917258 0.82 RXRA (0.46) RXRAHNF4ARXRBNR4A2CYP26A1
SCHEMBL8896825 0.79 RXRA (0.63) RXRAHNF4ACYP3A4RXRBCYP26A1
SCHEMBL7173098 0.79 RXRA (0.57) RXRAHNF4ARXRBMAPTRXRG
SCHEMBL6913691 0.79 RXRA (0.55) RXRAHNF4ARXRBRXRGRARA
SCHEMBL7174242 0.79 RXRA (0.60) RXRAHNF4ARXRBRXRGRARA
SCHEMBL6915899 0.78 RXRA (0.76) RXRAHNF4ARXRBNR4A2RXRG
SCHEMBL6913425 0.78 RXRA (0.58) RXRAHNF4ARXRBNR4A2RXRG

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 118/4885CYP3A4 514/4885

“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.