SCHEMBL5540407

SCHEMBL5540407

Cc1cc2c(cc1/C(=N/OCCCN)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.88
RXRG P48443 15/20 0.88
RXRB P28702 14/20 0.88
HNF4A P41235 3/20 0.63
RARA P10276 2/20 0.56
RARB P10826 2/20 0.56
RARG P13631 2/20 0.56
MEN1 O00255 1/20 0.56
CYP26A1 O43174 1/20 0.56
ABCB11 O95342 1/20 0.56
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL6890200 0.94 RXRA (1.00) RXRARXRGRXRBHNF4ARARA
SCHEMBL726357 0.91 RXRA (1.00) RXRARXRGRXRBHNF4ARARA
SCHEMBL6891713 0.91 RXRA (1.00) RXRARXRGRXRBHNF4ARARA
SCHEMBL6917916 0.88 RXRA (0.94) RXRARXRGRXRBHNF4ARARA
SCHEMBL6889557 0.88 RXRA (1.00) RXRARXRGRXRBHNF4ARARA
SCHEMBL6915986 0.83 RXRA (0.78) RXRARXRGRXRBHNF4ARARA
SCHEMBL14437920 0.82 RXRA (1.00) RXRARXRGRXRBHNF4ARARA
SCHEMBL2686255 0.82 RXRA (1.00) RXRARXRGRXRBHNF4ARARA
SCHEMBL6889100 0.82 RXRA (1.00) RXRARXRGRXRBHNF4ARARA
SCHEMBL6891088 0.82 RXRA (1.00) RXRARXRGRXRBHNF4ARARA

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-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 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 (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-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.