SCHEMBL490724

SCHEMBL490724

COc1ccc(C(C)C(=O)O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.57
AKR1C2 P52895 10/20 0.57
PTGS2 P35354 4/20 0.57
PTGS1 P23219 2/20 0.57
TSHR P16473 2/20 0.57
CDC42 P60953 1/20 0.57
RAC1 P63000 1/20 0.57
CYP1A2 P05177 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
BLM P54132 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51

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
SCHEMBL490839 0.86 TSHR (0.71) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL30127939 0.86 TSHR (0.71) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL14032691 0.86 ACHE (0.61) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL5122373 0.86 ACHE (0.61) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL490776 0.86 ACHE (0.61) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL28747725 0.85 AKR1C3 (0.58) AKR1C3AKR1C2TSHRBLMNPSR1
Hydrochloric Acid SCHEMBL3225395 0.84 ACHE (0.59) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL31103530 0.84 PTGS2 (0.53) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL503700 0.83 NPSR1 (0.76) TSHRBLMNPSR1TUBB4ATUBB
SCHEMBL352960 0.83 NPSR1 (0.76) TSHRBLMNPSR1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409974-B Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-12-21 CN claimed
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN claimed
CN-117990868-A Method for evaluating influence of yoghurt on flavone and phenolic acid in orange juice by adopting in-vitro model simulating gastrointestinal digestion 上海交通大学医学院 2024-05-07 CN disclosed
CN-116535366-B Thiazole compound and preparation method and application thereof 广州医科大学 2023-12-05 CN disclosed
CN-116535366-A Thiazole compound and preparation method and application thereof 广州医科大学 2023-08-04 CN disclosed
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 US disclosed
CN-112409974-B Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-12-21 CN disclosed
WO-2021067490-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2021-04-08 WO disclosed
CN-112409974-A Amphiphilic bio-based degradable underwater adhesive and preparation method and application thereof 江南大学 2021-02-26 CN disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-7781591-B2 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC (US) 2010-08-24 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN disclosed
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors WYETH LLC 2007-12-13 US disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 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 (4 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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A AKR1C3 334/4885AKR1C2 338/4885PTGS2 755/4885
US-20080152603-A1 Antioxidants GPX4, GPX1, CAT AKR1C3 289/4885AKR1C2 266/4885PTGS2 320/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 AKR1C3 733/4885AKR1C2 1012/4885PTGS2 1873/4885
US-20070287708-A1 Substituted 3-cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K7 AKR1C3 1058/4885AKR1C2 1323/4885PTGS2 1359/4885

“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.