SCHEMBL4007604

SCHEMBL4007604

CC(C(=O)OCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
PPARG P37231 2/20 0.57
PPARA Q07869 2/20 0.57
SLC6A2 P23975 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KMT2A Q03164 1/20 0.52
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
PTGS1 P23219 1/20 0.50
LMNA P02545 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL6792877 0.96 ALDH1A1 (0.58) ALDH1A1PPARGPPARASLC6A2TDP1
SCHEMBL6792870 0.96 ALDH1A1 (0.58) ALDH1A1PPARGPPARASLC6A2TDP1
SCHEMBL9234482 0.91 LMNA (0.56) ALDH1A1PPARGPPARASLC6A2TDP1
SCHEMBL5182481 0.91 LMNA (0.56) ALDH1A1PPARGPPARASLC6A2TDP1
SCHEMBL20004309 0.89 ALDH1A1 (0.50) ALDH1A1PPARGPPARASLC6A2TDP1
SCHEMBL28968069 0.89 PSEN1 (0.52) ALDH1A1PPARGPPARASLC6A2TDP1
SCHEMBL10594163 0.87 ALDH1A1 (0.49) ALDH1A1PPARGPPARASLC6A2TDP1
SCHEMBL28703363 0.87 ATM (0.61) ALDH1A1PPARGPPARATDP1KMT2A
SCHEMBL1393871 0.87 PTGS1 (0.67) PPARGPPARASLC6A2PGRADORA3
SCHEMBL31242951 0.86 ALDH1A1 (0.51) ALDH1A1PPARGPPARASLC6A2TDP1

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-118812412-A Preparation method of spirotrienone and coumarin and derivatives thereof 黄淮学院 2024-10-22 CN claimed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN claimed
CN-102417468-A Synthetic method of lambdacyhalothrin hapten LIBING WANG 2012-04-18 CN claimed
CN-119497888-A Hologram recording medium, method of manufacturing the same, and optical element including the same 株式会社LG化学 2025-02-21 CN disclosed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-118162196-A Heterogeneous catalyst for synthesizing benzyl phenylpropionate compound 中国石油化工股份有限公司 2024-06-11 CN disclosed
CN-109678718-B Method for synthesizing phenylpropionic acid ester derivatives under catalysis of ionic liquid 江西师范大学 2023-03-10 CN disclosed
CN-110903189-B Synthesis method of chiral 2-aryl propionate 大连大学 2022-06-21 CN disclosed
CN-107078352-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2020-04-28 CN disclosed
CN-110903189-A Synthesis method of chiral 2-aryl propionate 大连大学 2020-03-24 CN disclosed
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
CN-1236767-C Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2006-01-18 CN disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 US disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 WO disclosed
CN-1377269-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2002-10-30 CN disclosed
CN-1299282-A Vitronectin receptor antagonists SMITHKLINE BEECHAM CORP (US) 2001-06-13 CN disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT ALDH1A1 2554/4885PPARG 813/4885PPARA 795/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT ALDH1A1 311/4885PPARG 1960/4885PPARA 1472/4885

“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.