SCHEMBL726129

SCHEMBL726129

Cc1cc2c(cc1C1(c3ccc(C(=O)O)cc3)CC1)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 18/20 1.00
RXRB P28702 9/20 0.68
RXRG P48443 9/20 0.68
RARB P10826 5/20 0.67
RARG P13631 5/20 0.67
RARA P10276 4/20 0.67
PPARG P37231 2/20 0.67
CYP26A1 O43174 2/20 0.60
CYP26B1 Q9NR63 2/20 0.60
MEN1 O00255 1/20 0.60
ABCB11 O95342 1/20 0.60
ESR1 P03372 1/20 0.60
PGR P06401 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60

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
SCHEMBL13717021 0.87 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL7521288 0.85 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL6907698 0.85 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL3453249 0.82 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL30012842 0.82 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL6889399 0.82 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL7762990 0.82 RXRA (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL16926941 0.81 RXRA (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL16926940 0.81 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL6676473 0.81 RXRA (0.67) 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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160263189-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. 2016-09-15 US claimed
WO-2015059632-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER ACADIA PHARMACEUTICALS INC. (US) 2015-04-30 WO claimed
JP-4738738-B2 2011-08-03 JP claimed
EP-1576089-A4 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA CELL LTD (IL) 2007-02-14 EP claimed
EP-1485464-A4 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA CELL LTD (IL) 2006-11-29 EP claimed
US-20050220774-A1 Methods of inducing differentiation in ex vivo expanded stem cells GAMIDA CELL LTD. (IL) 2005-10-06 US claimed
JP-2005528088-A 2005-09-22 JP claimed
EP-1576089-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS Gamida Cell Ltd. (IL) 2005-09-21 EP claimed
EP-1534820-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES Gamida Cell Ltd. (IL) 2005-06-01 EP claimed
US-20050008624-A1 Expansion of renewable stem cell populations GAMIDA CELL LTD. 2005-01-13 US claimed
EP-1485464-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS Gamida Cell Ltd. (IL) 2004-12-15 EP claimed
WO-2004016731-A2 EX-VIVO EXPANSION OF HEMATOPOIETIC STEM CELL POPULATIONS IN MONONUCLEAR CELL CULTURES GAMIDA-CELL LTD. (IL) 2004-02-26 WO claimed
WO-2003078567-A2 METHODS OF INDUCING DIFFERENTIATION IN EX VIVO EXPANDED STEM CELLS GAMIDA-CELL LTD. (IL) 2003-09-25 WO claimed
WO-2003062369-A2 EXPANSION OF RENEWABLE STEM CELL POPULATIONS GAMIDA-CELL LTD. (IL) 2003-07-31 WO claimed
US-6320074-B1 IN VIVO MODULATION OF LIPID METABOLISM, SKIN-RELATED PROCESSES, AUTOIMMUNE DISEASES, FATTY ACID METABOLISM, MALIGNANT CELL DEVELOPMENT, PREMALIGNANT LESIONS, OR PROGRAMMED CELL DEATH LIGAND PHARMACEUTICALS INCORPORATED 2001-11-20 US claimed
EP-0637297-B1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARM INC (US) 2000-08-23 EP claimed
EP-0983992-A2 Compounds having selectivity for retinoid x receptors LIGAND PHARMACEUTICALS, INC. (US) 2000-03-08 EP claimed
EP-0983991-A2 Compounds having selectivity for retinoid x receptors LIGAND PHARMACEUTICALS, INC. (US) 2000-03-08 EP claimed
EP-0637297-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP claimed
WO-1993021146-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 1993-10-28 WO claimed

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-20160263189-A1 TREATMENT OF A NEURODEGENERATIVE DISEASE OR DISORDER NCOR1, NR4A2, NR4A3 RXRA 4/4885RXRB 7/4885RXRG 13/4885

“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.