SCHEMBL6910083

SCHEMBL6910083

C=C(c1ccc(C(=O)OC)cc1)c1cc2c(cc1OCCCC)C(C)(C)CCC2(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.61
CYP3A4 P08684 3/20 0.51
RARB P10826 4/20 0.50
RARG P13631 3/20 0.50
CYP26A1 O43174 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MEN1 O00255 1/20 0.50
ABCB11 O95342 1/20 0.50
ESR1 P03372 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL6915864 0.88 RXRA (0.74) RXRARARBRARGCYP26A1MEN1
SCHEMBL6915182 0.85 RXRA (0.69) RXRARARBRARGCYP26A1MEN1
SCHEMBL8896825 0.84 RXRA (0.63) RXRACYP3A4RARBRARGCYP26A1
SCHEMBL6909570 0.83 RXRA (0.77) RXRACYP3A4RARBRARGCYP26A1
SCHEMBL2594347 0.82 RXRA (0.73) RXRACYP3A4RARBRARGCYP26A1
SCHEMBL31758293 0.82 RXRA (0.73) RXRACYP3A4RARBRARGCYP26A1
SCHEMBL6245896 0.81 RXRA (0.51) RXRACYP3A4CYP26A1RXRBPPARG
SCHEMBL6910086 0.79 RARA (0.50) RXRACYP3A4RARBRARGCYP26A1
SCHEMBL6915718 0.79 RXRA (0.77) RXRARARBRARGCYP26A1MEN1
SCHEMBL6238864 0.78 RXRA (0.48) RXRACYP3A4CYP26A1RXRBPPARG

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 514/4885RARB 27/4885

“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.