SCHEMBL4532789

SCHEMBL4532789

C=C(c1ccc(C=O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.71
RXRB P28702 8/20 0.71
RXRG P48443 8/20 0.71
RARB P10826 7/20 0.71
RARG P13631 6/20 0.71
RARA P10276 4/20 0.71
MEN1 O00255 1/20 0.71
CYP26A1 O43174 1/20 0.71
ABCB11 O95342 1/20 0.71
ESR1 P03372 1/20 0.71
PGR P06401 1/20 0.71
HTR1A P08908 1/20 0.71
ADRA2A P08913 1/20 0.71
ADORA3 P0DMS8 1/20 0.71
CHRM1 P11229 1/20 0.71
DRD1 P21728 1/20 0.71
TBXA2R P21731 1/20 0.71
SLC6A2 P23975 1/20 0.71
ADRA1A P35348 1/20 0.71
OPRM1 P35372 1/20 0.71

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
SCHEMBL7889455 0.87 RXRA (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL4542640 0.85 RXRA (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL4542637 0.85 RXRA (0.65) RXRARXRBRXRGRARBRARG
SCHEMBL12755164 0.83 RXRA (0.79) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL29412584 0.83 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL9025 0.83 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL5322954 0.83 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL12181009 0.83 RXRA (0.79) RXRARXRBRXRGRARBRARG
SCHEMBL7756699 0.82 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL17938241 0.82 RXRA (0.77) RXRARXRBRXRGRARBRARG

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129034-A1 TREATMENT OF DISEASE WITH ESTERS OF SELECTIVE RXR AGONISTS Io Therapeutics, Inc. 2023-04-27 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
US-8946224-B2 Substituted [1,2,4]triazolo[4,3-A]pyrazines for medicaments and pharmaceutical compositions REDX PHARMA LIMITED (GB) 2015-02-03 US disclosed
EP-2638007-A2 DRUG DERIVATIVES Redx Pharma Limited (GB) 2013-09-18 EP disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
US-20130225594-A1 DRUG DERIVATIVES REDX PHARMA PLC (GB) 2013-08-29 US disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
WO-2012063085-A2 DRUG DERIVATIVES REDX PHARMA LIMITED (GB) 2012-05-18 WO disclosed
US-20100120742-A1 REXINOID COMPOUND HAVING ALKOXY GROUP NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2010-05-13 US disclosed
EP-2116523-A1 REXINOID COMPOUND HAVING ALKOXY GROUP National University Corporation Okayama University (JP) 2009-11-11 EP 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 (3 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-20130225594-A1 DRUG DERIVATIVES SQOR, NQO1, CYP2D6 RXRA 3617/4885RXRB 3891/4885RXRG 3743/4885
US-20100120742-A1 REXINOID COMPOUND HAVING ALKOXY GROUP RXRA, RXRG, RXRB RXRA 1/4885RXRB 3/4885RXRG 2/4885
US-20230129034-A1 TREATMENT OF DISEASE WITH ESTERS OF SELECTIVE RXR AGONISTS RXRA, RXRB, RXRG RXRA 1/4885RXRB 2/4885RXRG 3/4885

“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.