SCHEMBL5537933

SCHEMBL5537933

Cc1cccc(NC(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.60
RARB P10826 3/20 0.60
RARG P13631 3/20 0.60
RXRA P19793 2/20 0.60
RXRB P28702 1/20 0.60
RXRG P48443 1/20 0.60
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
NPC1 O15118 3/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
CYP26A1 O43174 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
CYP3A4 P08684 2/20 0.53
PGR P06401 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
TBXA2R P21731 1/20 0.53

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
SCHEMBL6889482 0.90 RXRA (0.58) RARARARBRARGRXRARXRB
SCHEMBL15961496 0.89 RXRA (0.67) RARARARBRARGRXRARXRB
SCHEMBL5538662 0.87 RXRA (0.64) RARARARBRARGRXRARXRB
SCHEMBL1074782 0.83 RXRA (0.62) RARARARBRARGRXRARXRB
SCHEMBL6890777 0.81 CYP2C9 (0.60) RARARARBRARGRXRARXRB
SCHEMBL12181011 0.81 RXRA (0.88) RARARARBRARGRXRARXRB
SCHEMBL1073921 0.80 RXRA (0.76) RARARARBRARGRXRARXRB
SCHEMBL5540253 0.79 RXRA (0.80) RARARARBRARGRXRARXRB
SCHEMBL5540268 0.79 RXRA (0.66) RARARARBRARGRXRARXRB
SCHEMBL292500 0.78 RXRA (0.83) RARARARBRARGRXRARXRB

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 RARA 7/4885RARB 6/4885RARG 12/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RARA 18/4885RARB 21/4885RARG 15/4885

“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.