SCHEMBL6674565

SCHEMBL6674565

COCOc1c(C(=O)O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.46
PPARG P37231 13/20 0.46
RARG P13631 5/20 0.46
RXRB P28702 4/20 0.43
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RXRG P48443 3/20 0.43
ELANE P08246 1/20 0.39
CD69 Q07108 1/20 0.39
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
EGFR P00533 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7792127 0.85 RXRA (0.59) RXRAPPARGRARGRXRBRARA
SCHEMBL9190271 0.84 RXRA (0.58) RXRAPPARGRARGRXRBRARA
SCHEMBL5665923 0.83 RXRA (0.56) RXRAPPARGRARGRXRBRARA
SCHEMBL9192206 0.81 RXRA (0.55) RXRAPPARGRARGRXRBRARA
SCHEMBL27491910 0.80 RXRA (0.45) RXRAPPARGRARGRXRBRARA
SCHEMBL8862679 0.80 RXRA (0.44) RXRAPPARGRARGRXRBRARA
SCHEMBL8903140 0.78 TNFRSF1A (0.40) RXRARARGRXRBRARARARB
SCHEMBL8779702 0.77 TNFRSF1A (0.33) EGFRTDP1
SCHEMBL9396553 0.77 RXRA (0.45) RXRAPPARGRARGRXRBRARA
SCHEMBL4855803 0.77 EGFR (0.34) RXRAPPARGRARGRXRBRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862555-B1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-10-20 EP disclosed
US-6610744-B2 Administering to a mammal a retinoid campound which binds specifically or selectively to a RAR alpha retinoid receptors in preference over RAR beta and RAR Gamma retinoid receptors, for therapy and prophylaxisof disease or condition ALLERGAN, INC. 2003-08-26 US disclosed
US-6534544-B1 Administering retinoid compound as anticarcinogenic and antitumor agents; side effect reduction ALLERGAN SALES, INC. 2003-03-18 US disclosed
US-6437129-B1 ARMOATIC OR HETEROARMOATIC COMPOUND CONTAINING SUBSTITUTED AMIDES OR THIOAMIDES ALLERGAN SALES, LLC 2002-08-20 US disclosed
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN 2002-07-11 US disclosed
US-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity ALLERGAN SALES, INC. 2002-06-20 US disclosed
US-6320047-B1 ACYL- OR THIOACYL-AMINOPYRIDINES ALLERGAN SALES, INC. 2001-11-20 US disclosed
US-6245786-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS ALLERGAN SALES, INC. 2001-06-12 US disclosed
US-6051713-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, PARTICULARLY AS AGENTS FOR TREATING SKIN RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-KERATINIZATION SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-18 US disclosed
US-5965606-A RETINOID RECEPTORS, 2-FLUORO-4-(2',2',4',4'-TETRAMETHYL-8'-TRIFLUOROMETHYLCHROMAN-6' -YL)CARBAMOYL BENZOIC ACID FOR TREATING MONOCYTIC LEUKEMIA ALLERGAN SALES, INC. (US) 1999-10-12 US disclosed
US-5917048-A Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN SALES INC. (US) 1999-06-29 US disclosed
EP-0869782-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RAR $g(a)? RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY Vision Pharmaceuticals L.P. (US) 1998-10-14 EP disclosed
EP-0862555-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-09-09 EP disclosed
US-5663357-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-09-02 US disclosed
WO-1997024116-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RARα RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY VISION PHARMACEUTICALS L.P. (US) 1997-07-10 WO disclosed
WO-1997019062-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-29 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 (2 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-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity RARG, RARA, RARB RXRA 5/4885PPARG 18/4885RARG 1/4885
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity CCR8, RXRA, CBR1 RXRA 2/4885PPARG 137/4885RARG 73/4885

“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.