SCHEMBL4096060

SCHEMBL4096060

CCCCc1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.61
PTGS1 P23219 4/20 0.61
AKR1C3 P42330 3/20 0.61
LMNA P02545 2/20 0.61
CYP2C9 P11712 2/20 0.61
CXCR1 P25024 2/20 0.61
CXCR2 P25025 2/20 0.61
RARB P10826 2/20 0.61
AKR1C2 P52895 2/20 0.61
ALB P02768 1/20 0.61
ESR1 P03372 1/20 0.61
ALOX5 P09917 1/20 0.61
ADRB3 P13945 1/20 0.61
NFKB1 P19838 1/20 0.61
HTR2A P28223 1/20 0.61
NR1I3 Q14994 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
CXCL8 P10145 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL29394323 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL14240874 1.00 PTGS2 (0.61) PTGS2PTGS1AKR1C3LMNACYP2C9
Methyl Alcohol SCHEMBL28195945 0.98 PTGS2 (0.59) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL28377476 0.95 RARB (0.59) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL27700219 0.93 RARB (0.57) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11426419 0.91 PTGS2 (0.67) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11424011 0.91 PTGS2 (0.67) PTGS2PTGS1AKR1C3LMNACYP2C9
Butylbenzyl SCHEMBL28123906 0.90 PTGS2 (0.51) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL471134 0.89 PTGS2 (0.65) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11425385 0.89 PTGS2 (0.65) PTGS2PTGS1AKR1C3LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114062554-B Analysis method for simultaneously measuring related substances of acetaminophen ibuprofen 山东百诺医药股份有限公司 2023-07-21 CN claimed
CN-114062554-A Analysis method for simultaneously determining acetaminophen ibuprofen-related substances 山东百诺医药股份有限公司 2022-02-18 CN claimed
CN-104042596-A Ibuprofen granule and preparation method thereof HARBIN HUARUI BIOCHEMICAL PHARMACEUTICAL CO LTD 2014-09-17 CN claimed
CN-102716069-A Injection liquid containing ibuprofen and preparation process of injection liquid WUXI KFT PHARMACEUTICAL TECHNOLOGY CO LTD 2012-10-10 CN claimed
CN-119715820-A Method for detecting ibuprofen related substances in ibuprofen renin tablets 北京济美堂医药研究有限公司 2025-03-28 CN disclosed
CN-117143091-A HBV core protein degradation agent based on hydrophobic tag technology and preparation method and application thereof 山东大学 2023-12-01 CN disclosed
CN-114062554-B Analysis method for simultaneously measuring related substances of acetaminophen ibuprofen 山东百诺医药股份有限公司 2023-07-21 CN disclosed
CN-114062554-A Analysis method for simultaneously determining acetaminophen ibuprofen-related substances 山东百诺医药股份有限公司 2022-02-18 CN disclosed
CN-112479855-A Preparation method of ibuprofen impurity B 艾希尔(深圳)药物研发有限公司 2021-03-12 CN disclosed
CN-112441902-A Preparation method of ibuprofen impurity F 艾希尔(深圳)药物研发有限公司 2021-03-05 CN disclosed
CN-108619087-A A kind of pharmaceutical composition containing brufen 长春海悦药业股份有限公司 2018-10-09 CN disclosed
CN-107648339-A A kind of medicine for reducing brufen clinical treatment rheumatic arthritis side effect 刘柱 2018-02-02 CN disclosed
US-20090214648-A1 PHARMACEUTICAL FORMULATIONS COMPRISING IBUPROFEN AND DIPHENHYDRAMINE DR. REDDY'S LABORATORIES, INC. 2009-08-27 US disclosed
US-20090214648-A1 PHARMACEUTICAL FORMULATIONS COMPRISING IBUPROFEN AND DIPHENHYDRAMINE DR. REDDY'S LABORATORIES, INC. 2009-08-27 US disclosed
US-20080154049-A1 for acylation of an aromatic compound, comprising reacting an aromatic compound and an acylating agent of the carboxylic acid type, in the presence of a Lewis acid and of a silylated reagent selected from the group consisting of halosilanes and halosiloxanes. SHASUN PHARMA SOLUTIONS LIMITED (GB) 2008-06-26 US disclosed
US-20070265344-A1 Non-steroidal anti-inflammatory oral powder and liquid preparations for administration to animals PHARMACEUTICAL SOLUTIONS, INC. 2007-11-15 US disclosed
EP-1452169-B1 AQUEOUS BASE LIQUID PHARMACEUTICAL COMPOSITIONS IN SUSPENSION FORM FOR THE ORAL ADMINISTRATION OF IBUPROFEN FARMALIDER SA (ES) 2007-01-24 EP disclosed
EP-1452169-A1 AQUEOUS BASE LIQUID PHARMACEUTICAL COMPOSITIONS IN SUSPENSION FORM FOR THE ORAL ADMINISTRATION OF IBUPROFEN Farmalider, S.A. (ES) 2004-09-01 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 WO disclosed
US-4623736-A INTERMEDIATES FOR ANALGESICS THE UPJOHN COMPANY (US) 1986-11-18 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 (3 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-20070265344-A1 Non-steroidal anti-inflammatory oral powder and liquid preparations for administration to animals PTGES, PTGS1, IL1B PTGS2 9/4885PTGS1 2/4885AKR1C3 2544/4885
US-20090214648-A1 PHARMACEUTICAL FORMULATIONS COMPRISING IBUPROFEN AND DIPHENHYDRAMINE HRH1, HRH4, HRH2 PTGS2 32/4885PTGS1 10/4885AKR1C3 2487/4885
US-20080154049-A1 for acylation of an aromatic compound, comprising reacting an aromatic compound and an acylating agent of the carboxylic acid type, in the presence of a Lewis acid and of a silylated reagent selected from the group consisting of halosilanes and halosiloxanes. AADAC, APEH, DDC PTGS2 4658/4885PTGS1 4613/4885AKR1C3 1200/4885

“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.