SCHEMBL4890742

SCHEMBL4890742

CC(C)CCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 2/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
SLC15A1 P46059 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CDC25B P30305 1/20 0.48
TSHR P16473 1/20 0.46
CTSK P43235 2/20 0.46
HCAR2 Q8TDS4 1/20 0.45

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
SCHEMBL4955877 0.90 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL28377873 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL16344760 0.89 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL8989009 0.88 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL24235719 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL22607077 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL18709165 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL17949819 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL8224834 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A
SCHEMBL12564571 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874361-B Compound with anticancer activity and preparation method thereof 医药生命融合研究团 2024-07-12 CN claimed
CN-109553704-B Catalyst component for olefin polymerization, catalyst and application 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-112538400-A Vehicle-mounted fragrance and preparation method thereof 广州汽车集团股份有限公司 2021-03-23 CN claimed
US-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-13 US claimed
JP-2004531459-A 2004-10-14 JP claimed
EP-1366024-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-12-03 EP claimed
WO-2002030882-A2 SULFOXIDE AND BIS-SULFOXIDE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
CN-113874361-B Compound with anticancer activity and preparation method thereof 医药生命融合研究团 2024-07-12 CN disclosed
US-20230233526-A1 GRANZYME B INHIBITOR COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF SKIN BLISTERING AND/OR PEELING THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-07-27 US disclosed
CN-115948815-A Preparation method of PLA degradable short fibers 湖北博韬合纤有限公司 2023-04-11 CN disclosed
CN-109082910-B Dyeing property improving agent and method for producing dyed fiber product 日华化学(中国)有限公司 2022-05-03 CN disclosed
CN-114195517-A Preparation method of additive-free high-purity yttrium oxide spherical particles for thermal spraying 常州市卓群纳米新材料有限公司 2022-03-18 CN disclosed
CN-112538400-A Vehicle-mounted fragrance and preparation method thereof 广州汽车集团股份有限公司 2021-03-23 CN disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-7189756-B2 Pyrrolidine derivatives HOFFMAN-LA ROCHE INC. (US) 2007-03-13 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 US disclosed
WO-2004089925-A1 PI-3 KINASE INHIBITOR PRODRUGS SEMAFORE PHARMACEUTICALS, INC. (US) 2004-10-21 WO disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 ALDH1A1 1305/4885MAPK1 1850/4885L3MBTL1 4525/4885
US-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents REN, CMA1, AKR1A1 ALDH1A1 160/4885MAPK1 820/4885L3MBTL1 3551/4885
US-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses PNLIP, FABP2, GPR119 ALDH1A1 3862/4885MAPK1 3658/4885L3MBTL1 2126/4885
US-20230233526-A1 GRANZYME B INHIBITOR COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF SKIN BLISTERING AND/OR PEELING GZMB, SERPINB1, CTSB ALDH1A1 4771/4885MAPK1 2977/4885L3MBTL1 2251/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP ALDH1A1 2369/4885MAPK1 3042/4885L3MBTL1 1897/4885

“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.