SCHEMBL6915745

SCHEMBL6915745

COC(=O)c1ccc(C(O)C2=CCCc3cc4c(cc32)C(C)(C)CCC4(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.45
CYP3A4 P08684 5/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP26A1 O43174 4/20 0.41
RARB P10826 8/20 0.39
RARG P13631 8/20 0.39
RARA P10276 7/20 0.39
CYP26B1 Q9NR63 1/20 0.38
RXRB P28702 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CRBN Q96SW2 1/20 0.34
RXRG P48443 1/20 0.34

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
SCHEMBL6917353 0.80 CYP3A4 (0.46) RXRACYP3A4CYP26A1RARBRARG
SCHEMBL8809523 0.75 CYP3A4 (0.42) RXRACYP3A4ALDH1A1CYP26A1RARB
SCHEMBL6240838 0.74 RXRA (0.51) RXRACYP3A4CYP26A1RARBRARG
SCHEMBL6238471 0.74 RXRA (0.57) RXRACYP3A4CYP26A1RARBRARG
SCHEMBL8808065 0.71 CYP3A4 (0.40) RXRACYP3A4ALDH1A1CYP26A1RARB
SCHEMBL6237205 0.70 RXRA (0.57) RXRACYP3A4CYP26A1RARBRARG
SCHEMBL8811420 0.70 CYP3A4 (0.46) RXRACYP3A4ALDH1A1CYP26A1RARB
SCHEMBL2788640 0.68 CYP3A4 (0.70) RXRACYP3A4ALDH1A1CYP26A1RARB
SCHEMBL4408604 0.67 CA1 (0.66) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL9524356 0.67 CYP3A4 (0.68) RXRACYP3A4CYP26A1RARBRARG

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 3/4885CYP3A4 514/4885ALDH1A1 4172/4885

“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.