SCHEMBL1072525

SCHEMBL1072525

C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1Br)C(C)(C)CCC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 1.00
RARB P10826 8/20 0.75
RARG P13631 7/20 0.75
RARA P10276 5/20 0.75
RXRB P28702 5/20 0.75
RXRG P48443 5/20 0.75
MEN1 O00255 1/20 0.75
CYP26A1 O43174 1/20 0.75
ABCB11 O95342 1/20 0.75
ESR1 P03372 1/20 0.75
PGR P06401 1/20 0.75
HTR1A P08908 1/20 0.75
ADRA2A P08913 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
CHRM1 P11229 1/20 0.75
DRD1 P21728 1/20 0.75
TBXA2R P21731 1/20 0.75
SLC6A2 P23975 1/20 0.75
ADRA1A P35348 1/20 0.75
OPRM1 P35372 1/20 0.75

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
SCHEMBL5538726 0.87 RXRA (0.77) RXRARARBRARGRARARXRB
Bexarotene SCHEMBL9025 0.86 RXRA (1.00) RXRARARBRARGRARARXRB
SCHEMBL1072953 0.86 RXRA (1.00) RXRARARBRARGRARARXRB
Bexarotene SCHEMBL29412584 0.86 RXRA (1.00) RXRARARBRARGRARARXRB
Bexarotene SCHEMBL5322954 0.86 RXRA (1.00) RXRARARBRARGRARARXRB
SCHEMBL6889176 0.84 RXRA (1.00) RXRARARBRARGRARARXRB
Bexarotene SCHEMBL4432606 0.84 RXRA (0.97) RXRARARBRARGRARARXRB
SCHEMBL2685363 0.84 RXRA (1.00) RXRARARBRARGRARARXRB
Bexarotene SCHEMBL28672173 0.83 RXRA (0.94) RXRARARBRARGRARARXRB
SCHEMBL3176118 0.83 RXRA (1.00) RXRARARBRARGRARARXRB

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391093-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2019-08-27 US disclosed
US-20170182046-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, a body Corporate of the State of Arizona, Acting for and on Behalf of Ariz (US) 2017-06-29 US disclosed
US-9573906-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-02-21 US disclosed
US-20160263189-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. 2016-09-15 US disclosed
EP-2910549-A1 1,2,3,4-TETRAHYDRO-1,1,4,4-TETRAMETHYLNAPHTHALENE DERIVATIVES USEFUL AS RXR MODULATORS FOR TREATING ALZHEIMER'S DISEASE AND CANCER Arizona Board of Regents, a Body Corporate of the State of Arizona acting for and on behalf of Arizona State University (US) 2015-08-26 EP disclosed
WO-2015059632-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. (US) 2015-04-30 WO disclosed
US-20140343079-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, A body corporate of the State of Arizona, acting for and on 2014-11-20 US disclosed
US-20140343079-A1 THERAPEUTIC COMPOUNDS Arizona Board of Regents, A body corporate of the State of Arizona, acting for and on 2014-11-20 US disclosed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS UNIV CASE WESTERN RESERVE (US) 2014-08-21 US disclosed
US-6043279-A COMPOUNDS USED FOR IN VIVO MODULATION OF LIPID METABOLISM, SKIN-RELATED PROCESSES, MALIGNANT CELL DEVELOPMENT, PREMALIGNANT LESIONS, PROGRAMMED CELL DEATH LIGAND PHARMACEUTICALS, INCORPORATED (US) 2000-03-28 US disclosed
EP-0983992-A2 Compounds having selectivity for retinoid x receptors LIGAND PHARMACEUTICALS, INC. (US) 2000-03-08 EP disclosed
EP-0983991-A2 Compounds having selectivity for retinoid x receptors LIGAND PHARMACEUTICALS, INC. (US) 2000-03-08 EP disclosed
US-5962731-A MODIFY LIPID METABOLISM; SKIN DISORDERS,; AUTOIMMUNE DISEASES; FATTY ACID METABOLISM; ANTITUMOR AGENTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-10-05 US disclosed
EP-0678087-B1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARM INC (US) 1999-03-17 EP disclosed
EP-0678087-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
WO-1995004036-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1995-02-09 WO disclosed
EP-0637297-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1993021146-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 1993-10-28 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 (5 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-10391093-B2 Therapeutic compounds PSEN1, PSEN2, MAPT RXRA 3433/4885RARB 2861/4885RARG 2817/4885
US-20170182046-A1 THERAPEUTIC COMPOUNDS PSEN1, PSEN2, MAPT RXRA 3433/4885RARB 2861/4885RARG 2817/4885
US-20140343079-A1 THERAPEUTIC COMPOUNDS MAPT, PSEN1, PSEN2 RXRA 3109/4885RARB 2411/4885RARG 2187/4885
US-20160263189-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER NCOR1, NR4A2, NR4A3 RXRA 4/4885RARB 37/4885RARG 54/4885
US-20140235676-A1 RXR AGONIST COMPOUNDS AND METHODS RXRA, RXRB, RXRG RXRA 1/4885RARB 6/4885RARG 12/4885

“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.