SCHEMBL6891312

SCHEMBL6891312

Cc1cc2c(cc1C(=S)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.74
RXRG P48443 11/20 0.74
RXRB P28702 10/20 0.74
RARA P10276 4/20 0.74
RARB P10826 4/20 0.74
RARG P13631 4/20 0.74
MEN1 O00255 1/20 0.70
CYP26A1 O43174 1/20 0.70
ABCB11 O95342 1/20 0.70
ESR1 P03372 1/20 0.70
PGR P06401 1/20 0.70
HTR1A P08908 1/20 0.70
ADRA2A P08913 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CHRM1 P11229 1/20 0.70
DRD1 P21728 1/20 0.70
TBXA2R P21731 1/20 0.70
SLC6A2 P23975 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRM1 P35372 1/20 0.70

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
SCHEMBL5540373 0.86 RXRA (0.54) RXRARXRGRXRBRARARARB
SCHEMBL726140 0.85 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL30054740 0.85 RXRA (1.00) RXRARXRGRXRBRARARARB
Bexarotene SCHEMBL29412584 0.82 RXRA (1.00) RXRARXRGRXRBRARARARB
Bexarotene SCHEMBL5322954 0.82 RXRA (1.00) RXRARXRGRXRBRARARARB
Bexarotene SCHEMBL9025 0.82 RXRA (1.00) RXRARXRGRXRBRARARARB
Bexarotene SCHEMBL4432606 0.81 RXRA (0.97) RXRARXRGRXRBRARARARB
SCHEMBL7034081 0.81 RXRA (0.72) RXRARXRGRXRBRARARARB
SCHEMBL3454328 0.81 RXRA (1.00) RXRARXRGRXRBRARARARB
SCHEMBL5359740 0.81 RXRA (0.71) RXRARXRGRXRBRARARARB

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 6 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

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.