SCHEMBL6918873

SCHEMBL6918873

C=C(C)c1cc2c(cc1OCc1ccccc1)C(C)(C)CCC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.45
HNF4A P41235 3/20 0.45
MAOB P27338 2/20 0.42
LIPE Q05469 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
RARB P10826 3/20 0.40
RARA P10276 2/20 0.40
RARG P13631 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
MEN1 O00255 1/20 0.40
CYP26A1 O43174 1/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
PGR P06401 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL6915309 0.86 RXRA (0.43) RXRAHNF4AMAOBLIPEL3MBTL1
SCHEMBL6917161 0.86 MAOB (0.55) RXRAHNF4AMAOBL3MBTL1MAPT
SCHEMBL6917445 0.80 RXRA (0.43) RXRAHNF4AMAOBLIPEL3MBTL1
SCHEMBL6917450 0.80 RXRA (0.43) RXRAHNF4AMAOBLIPEL3MBTL1
SCHEMBL6473706 0.79 LIPE (0.56) RXRAHNF4ALIPEL3MBTL1MAPT
SCHEMBL6477273 0.78 HTR2A (0.47) RXRAHNF4AMAOBLIPEL3MBTL1
SCHEMBL6914132 0.78 RXRA (0.54) RXRAHNF4ARARBRARARARG
SCHEMBL6915899 0.78 RXRA (0.76) RXRAHNF4ARARBRARARARG
SCHEMBL6915796 0.78 RXRA (0.65) RXRAHNF4ARARBRARARARG
SCHEMBL14365267 0.77 SMN1; SMN2 (0.47) RXRAMAOBLIPEL3MBTL1MAPT

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 118/4885MAOB 4382/4885

“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.