SCHEMBL3199550

SCHEMBL3199550

CCc1ccc(C(=O)NCCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NR1H4 Q96RI1 2/20 0.58
PPARA Q07869 1/20 0.58
PLK1 P53350 1/20 0.58
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
HDAC3 O15379 1/20 0.49
EPHX2 P34913 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL13760117 0.90 PPARA (0.70) GCGRCA1CA2NR1H4PPARA
SCHEMBL9717434 0.87 MAPK1 (0.71) CA1CA2MAPK1ALDH1A1LMNA
SCHEMBL3195210 0.87 L3MBTL1 (0.61) CA1CA2NR1H4PLK1MAPK1
SCHEMBL9072937 0.84 CA1 (0.52) GCGRCA1CA2NR1H4MAPK1
SCHEMBL6360077 0.84 PLK1 (0.63) PLK1MAPK1ALDH1A1LMNAL3MBTL1
SCHEMBL15296714 0.83 PLK1 (0.64) GCGRNR1H4PPARAPLK1MAPK1
SCHEMBL2402306 0.83 HRH3 (0.59) GCGRCA1CA2NR1H4PLK1
SCHEMBL13418360 0.83 S1PR1 (0.65) GCGRPLK1MAPK1ALDH1A1L3MBTL1
SCHEMBL2650797 0.83 CA1 (0.62) CA1CA2MAPK1LMNAL3MBTL1
SCHEMBL2650661 0.83 CA1 (0.58) CA1CA2NR1H4MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020236818-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC. (US) 2020-11-26 WO disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-8623818-B2 Glucagon receptor antagonists, compositions, and methods for their use MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20110065634-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
US-7563815-B2 Benzamidazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-07-21 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GCGR 2870/4885CA1 4651/4885CA2 2941/4885
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR GCGR 5/4885CA1 4290/4885CA2 1853/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 GCGR 4138/4885CA1 1466/4885CA2 876/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 GCGR 3107/4885CA1 4609/4885CA2 3261/4885
US-20110065634-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR GCGR 2/4885CA1 2684/4885CA2 1797/4885

“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.