SCHEMBL3982018

SCHEMBL3982018

COC(=O)c1ccc(C(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.72
RXRB P28702 6/20 0.72
RXRG P48443 6/20 0.72
RARA P10276 3/20 0.72
RARB P10826 3/20 0.72
RARG P13631 3/20 0.72
CYP3A4 P08684 3/20 0.54
CYP26A1 O43174 3/20 0.53
MEN1 O00255 1/20 0.53
ABCB11 O95342 1/20 0.53
ESR1 P03372 1/20 0.53
PGR P06401 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
ADRA1A P35348 1/20 0.53

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
SCHEMBL24055013 0.95 RXRA (0.65) RXRARXRBRXRGRARARARB
SCHEMBL12181011 0.89 RXRA (0.88) RXRARXRBRXRGRARARARB
SCHEMBL6901737 0.89 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL12427196 0.88 RXRA (0.63) RXRARXRBRXRGRARARARB
SCHEMBL6915712 0.87 RXRA (0.72) RXRARXRBRXRGRARARARB
SCHEMBL7622797 0.86 RXRA (0.55) RXRARXRBRXRGRARARARB
SCHEMBL31758293 0.86 RXRA (0.73) RXRARXRBRXRGRARARARB
SCHEMBL2594347 0.86 RXRA (0.73) RXRARXRBRXRGRARARARB
SCHEMBL20398874 0.85 RXRA (0.60) RXRARXRBRXRGRARARARB
SCHEMBL6274241 0.85 RXRA (0.53) 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 22 patents — showing the first 20. 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
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
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
US-7572816-B2 Therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-7572816-B2 Therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-11 US disclosed
US-20060014800-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders AUSPEX PHARMACEUTICALS, INC. 2006-01-19 US disclosed
WO-2005011573-A2 NOVEL THERAPEUTIC AGENTS FOR THE TREATMENT OF CANCER, METABOLIC DISEASES AND SKIN DISORDERS AUSPEX PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
US-20040019072-A1 Dimer-selective RXR modulators and methods for their use CANAN-KOCH STACIE (US) 2004-01-29 US disclosed
EP-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
US-6545049-B1 E.g., (2E, 4E, 6E)-7-(3,5-diisopropyl-2-n-heptyloxyphenyl)-3-methylocta-2,4,6-trienoic acid, esters or amides thereof LIGAND PHARMACEUTICALS INCORPORATED 2003-04-08 US 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
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 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 (6 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-20040019072-A1 Dimer-selective RXR modulators and methods for their use RXRG, RXRB, RXRA RXRA 3/4885RXRB 2/4885RXRG 1/4885
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-20060014800-A1 Novel therapeutic agents for the treatment of cancer, metabolic diseases and skin disorders IGF1R, INSR, MC1R RXRA 334/4885RXRB 349/4885RXRG 366/4885
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.