SCHEMBL5538801

SCHEMBL5538801

CCCCO/N=C(\c1ccc(C)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.81
RXRG P48443 13/20 0.81
RXRB P28702 12/20 0.81
HNF4A P41235 3/20 0.60
ESR1 P03372 1/20 0.49

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
SCHEMBL5533610 0.94 RXRA (0.81) RXRARXRGRXRBHNF4AESR1
SCHEMBL6891713 0.90 RXRA (1.00) RXRARXRGRXRBHNF4AESR1
SCHEMBL726357 0.90 RXRA (1.00) RXRARXRGRXRBHNF4AESR1
SCHEMBL6917916 0.87 RXRA (0.94) RXRARXRGRXRBHNF4AESR1
SCHEMBL6916392 0.85 RXRA (0.76) RXRARXRGRXRBHNF4A
SCHEMBL6889557 0.84 RXRA (1.00) RXRARXRGRXRBHNF4AESR1
SCHEMBL5534972 0.82 RXRA (0.82) RXRARXRGRXRBHNF4AESR1
SCHEMBL5540507 0.82 RXRA (0.79) RXRARXRGRXRBHNF4AESR1
SCHEMBL5540407 0.81 RXRA (0.88) RXRARXRGRXRBHNF4AESR1
SCHEMBL6890200 0.78 RXRA (1.00) RXRARXRGRXRBHNF4AESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 US 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 (2 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-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RXRG 3/4885RXRB 2/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RXRG 3/4885RXRB 2/4885

“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.