SCHEMBL6916464

SCHEMBL6916464

CCCc1cc2c(cc1C1(c3ccc(C(=O)OC)cc3)CC1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.50
CYP3A4 P08684 3/20 0.49
CYP26A1 O43174 3/20 0.46
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
HNF4A P41235 2/20 0.40
CYP26B1 Q9NR63 1/20 0.39
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL6915230 0.87 RXRA (0.67) RXRACYP26A1RARARARBRARG
SCHEMBL6907698 0.82 RXRA (0.74) RXRACYP3A4CYP26A1RARARARB
SCHEMBL6914131 0.81 RXRA (0.76) RXRACYP3A4CYP26A1RARARARB
SCHEMBL6909570 0.79 RXRA (0.77) RXRACYP3A4CYP26A1RARARARB
SCHEMBL8707418 0.79 RXRA (0.72) RXRACYP3A4CYP26A1RARARARB
SCHEMBL6909571 0.77 RARB (0.52) RXRACYP3A4CYP26A1RARARARB
SCHEMBL10841159 0.76 RARB (0.66) RXRACYP3A4CYP26A1RARARARB
SCHEMBL10841164 0.76 RARB (0.66) RXRACYP3A4CYP26A1RARARARB
SCHEMBL8016720 0.73 CYP3A4 (0.56) RXRACYP3A4CYP26A1RARARARB
SCHEMBL7509945 0.71 RXRA (0.55) RXRACYP3A4CYP26A1RARARARB

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 4 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

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 514/4885CYP26A1 420/4885

“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.