SCHEMBL12427196

SCHEMBL12427196

COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1C(=O)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.63
RXRB P28702 9/20 0.63
RXRG P48443 9/20 0.63
RARA P10276 4/20 0.63
RARB P10826 4/20 0.63
RARG P13631 4/20 0.63
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MEN1 O00255 1/20 0.50
CYP26A1 O43174 1/20 0.50
ABCB11 O95342 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
SCHEMBL20398874 0.90 RXRA (0.60) RXRARXRBRXRGRARARARB
SCHEMBL3982018 0.88 RXRA (0.72) RXRARXRBRXRGRARARARB
SCHEMBL16926945 0.87 RXRA (0.64) RXRARXRBRXRGRARARARB
SCHEMBL6901737 0.86 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL6902488 0.85 RXRA (0.57) RXRARXRBRXRGRARARARB
SCHEMBL14212707 0.85 RXRA (0.54) RXRARXRBRXRGRARARARB
SCHEMBL24055013 0.83 RXRA (0.65) RXRARXRBRXRGRARARARB
SCHEMBL14212721 0.83 RXRA (0.54) RXRARXRBRXRGRARARARB
SCHEMBL12181011 0.83 RXRA (0.88) RXRARXRBRXRGRARARARB
SCHEMBL14212719 0.82 RXRA (0.76) RXRARXRBRXRGRARARARB

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
EP-2536276-B1 NOVEL BEXAROTENE ANALOGS UNIV ARIZONA (US) 2016-11-23 EP disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-9174917-B2 Bexarotene analogs ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-11-03 US disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 US disclosed
US-20120309833-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2012-12-06 US disclosed
WO-2011103321-A1 NOVEL BEXAROTENE ANALOGS ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-08-25 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 (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-20120309833-A1 NOVEL BEXAROTENE ANALOGS TBXA2R, ENPP2, CXCL8 RXRA 14/4885RXRB 7/4885RXRG 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.