SCHEMBL2594347

SCHEMBL2594347

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.73
RXRB P28702 9/20 0.73
RXRG P48443 9/20 0.73
RARB P10826 5/20 0.73
RARG P13631 4/20 0.73
RARA P10276 2/20 0.73
MEN1 O00255 1/20 0.73
CYP26A1 O43174 1/20 0.73
ABCB11 O95342 1/20 0.73
ESR1 P03372 1/20 0.73
PGR P06401 1/20 0.73
HTR1A P08908 1/20 0.73
ADRA2A P08913 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
DRD1 P21728 1/20 0.73
TBXA2R P21731 1/20 0.73
SLC6A2 P23975 1/20 0.73
ADRA1A P35348 1/20 0.73
OPRM1 P35372 1/20 0.73

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
SCHEMBL31758293 1.00 RXRA (0.73) RXRARXRBRXRGRARBRARG
SCHEMBL24055389 0.95 RXRA (0.67) RXRARXRBRXRGRARBRARG
SCHEMBL7897711 0.90 RXRA (0.63) RXRARXRBRXRGRARBRARG
SCHEMBL20315197 0.89 RXRA (0.73) RXRARXRBRXRGRARBRARG
SCHEMBL16926945 0.88 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL20805523 0.88 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL16926727 0.87 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL6890269 0.87 RXRA (0.70) RXRARXRBRXRGRARBRARG
SCHEMBL20398869 0.86 RXRA (0.62) RXRARXRBRXRGRARBRARG
SCHEMBL3982018 0.86 RXRA (0.72) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260008740-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DJ Therapeutics LLC (US) 2026-01-08 US disclosed
US-12338214-B2 Bexarotene derivatives and their use in treating cancer DJ Therapeutics LLC (US) 2025-06-24 US disclosed
CN-113233980-B Synthesis method of beta-chloroacid ester and alpha, beta-unsaturated acid ester compound 台州学院 2022-04-05 CN disclosed
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DAWN SCIENTIFIC PHARMACEUTICALS, LLC 2021-11-25 US disclosed
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DAWN SCIENTIFIC PHARMACEUTICALS, LLC 2021-11-25 US disclosed
CN-113233980-A Synthesis method of beta-chloroacid ester and alpha, beta-unsaturated acid ester compound 台州学院 2021-08-10 CN disclosed
EP-3758694-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER DJ Therapeutics LLC (US) 2021-01-06 EP disclosed
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-2011141928-A1 PROCESS FOR THE PREPARATION OF HIGHLY PURE BEXAROTENE IND-SWIFT LABORATORIES LIMITED (IN) 2011-11-17 WO 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
US-5837725-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1998-11-17 US disclosed
US-5466861-A Bridged bicyclic aromatic compounds and their use in modulating gene expression of retinoid receptors SRI INTERNATIONAL (US) 1995-11-14 US disclosed
EP-0671005-A1 RXR HOMODIMER FORMATION AND BRIDGED BICYCLIC AROMATIC COMPOUNDS AND THEIR USE IN MODULATING GENE EXPRESSION LA JOLLA CANCER RESEARCH FOUNDATION (US) 1995-09-13 EP disclosed
WO-1994012880-A2 RXR HOMODIMER FORMATION AND BRIDGED BICYCLIC AROMATIC COMPOUNDS AND THEIR USE IN MODULATING GENE EXPRESSION LA JOLLA CANCER RESEARCH FOUNDATION (US) 1994-06-09 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 (4 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-12338214-B2 Bexarotene derivatives and their use in treating cancer C3AR1, CXCR3, CCR7 RXRA 9/4885RXRB 18/4885RXRG 8/4885
US-20210363093-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER ENPP2, XPA, CCR8 RXRA 4/4885RXRB 13/4885RXRG 5/4885
US-20260008740-A1 BEXAROTENE DERIVATIVES AND THEIR USE IN TREATING CANCER CXCR3, CCR6, CCR9 RXRA 63/4885RXRB 76/4885RXRG 69/4885
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.