SCHEMBL6889482

SCHEMBL6889482

Cc1cc2c(cc1C(=O)c1ccc(C(=O)Nc3cccc(O)c3)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.58
RARA P10276 5/20 0.58
RARB P10826 5/20 0.58
RARG P13631 5/20 0.58
RXRB P28702 2/20 0.58
RXRG P48443 2/20 0.58
CYP26A1 O43174 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CYP3A4 P08684 2/20 0.52
PGR P06401 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
TBXA2R P21731 1/20 0.52
BLVRB P30043 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MAPK1 P28482 3/20 0.51
TP53 P04637 2/20 0.51
CYP26B1 Q9NR63 3/20 0.51
HDAC3 O15379 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
SCHEMBL5537933 0.90 RARA (0.60) RXRARARARARBRARGRXRB
SCHEMBL5540268 0.89 RXRA (0.66) RXRARARARARBRARGRXRB
SCHEMBL1074782 0.87 RXRA (0.62) RXRARARARARBRARGRXRB
SCHEMBL5538662 0.83 RXRA (0.64) RXRARARARARBRARGRXRB
SCHEMBL6890777 0.81 CYP2C9 (0.60) RXRARARARARBRARGRXRB
SCHEMBL12181011 0.80 RXRA (0.88) RXRARARARARBRARGRXRB
SCHEMBL1073921 0.79 RXRA (0.76) RXRARARARARBRARGRXRB
SCHEMBL15961496 0.79 RXRA (0.67) RXRARARARARBRARGRXRB
SCHEMBL292500 0.77 RXRA (0.83) RXRARARARARBRARGRXRB
SCHEMBL5540299 0.77 RXRA (0.69) RXRARARARARBRARGRXRB

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 7 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
WO-2013056232-A2 RXR AGONISTS COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2013-04-18 WO disclosed
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS LANDRETH GARY E (US) 2012-05-10 US disclosed
WO-2011006157-A2 RXR AGONIST COMPOUNDS AND METHODS CASE WESTERN RESERVE UNIVERSITY (US) 2011-01-13 WO disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 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 (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 1/4885RARA 7/4885RARB 6/4885
US-20120115912-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RARA 18/4885RARB 21/4885

“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.