SCHEMBL6909571

SCHEMBL6909571

CCCc1cc2c(cc1C=Cc1ccc(C(=O)OC)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.52
RARG P13631 7/20 0.52
RARA P10276 6/20 0.52
RXRA P19793 5/20 0.48
CYP3A4 P08684 3/20 0.47
CYP26A1 O43174 3/20 0.44
PTPN1 P18031 1/20 0.44
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
VDR P11473 3/20 0.43
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL10843882 0.94 RARA (0.50) RARBRARGRARARXRACYP3A4
SCHEMBL10843886 0.94 RARA (0.50) RARBRARGRARARXRACYP3A4
SCHEMBL10842927 0.92 RARB (0.55) RARBRARGRARARXRACYP3A4
SCHEMBL10842924 0.92 RARB (0.55) RARBRARGRARARXRACYP3A4
SCHEMBL10846459 0.92 RARA (0.48) RARBRARGRARARXRACYP3A4
SCHEMBL10844148 0.92 RARA (0.48) RARBRARGRARARXRACYP3A4
SCHEMBL10841063 0.92 RARA (0.48) RARBRARGRARARXRACYP3A4
SCHEMBL10844151 0.92 RARA (0.48) RARBRARGRARARXRACYP3A4
SCHEMBL10841056 0.92 RARA (0.48) RARBRARGRARARXRACYP3A4
SCHEMBL10846465 0.92 RARA (0.48) RARBRARGRARARXRACYP3A4

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 RARB 27/4885RARG 25/4885RARA 28/4885

“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.