SCHEMBL6916157

SCHEMBL6916157

COc1ccc(COc2cc3c(cc2C(C)=O)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
HNF4A P41235 2/20 0.45
MAOB P27338 5/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
PREP P48147 1/20 0.45
MAOA P21397 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
FFAR1 O14842 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6915771 0.88 MAOB (0.49) RXRAHNF4AMAOBSMN1; SMN2MAOA
SCHEMBL6917161 0.88 MAOB (0.55) RXRAHNF4AMAOBSMN1; SMN2
SCHEMBL6917258 0.85 RXRA (0.46) RXRAHNF4AMAOBRAB9A
SCHEMBL6917625 0.81 RXRA (0.40) RXRAHNF4ANPC1RAB9AMTNR1A
SCHEMBL6917628 0.81 RXRA (0.40) RXRAHNF4ANPC1RAB9AMTNR1A
SCHEMBL6473566 0.81 LIPE (0.42) MAOBNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4423837 0.80 RXRA (0.62) RXRAHNF4A
SCHEMBL6472248 0.80 ABCB1 (0.44) MAOBNPC1RAB9ASMN1; SMN2HDAC8
SCHEMBL14680143 0.79 MAOB (0.57) MAOBNPC1RAB9ASMN1; SMN2POLB
SCHEMBL6909578 0.78 RXRA (0.64) RXRAHNF4A

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.