SCHEMBL66534

SCHEMBL66534

CC(C)Cc1cccc(C(C)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.64
PTGS1 P23219 8/20 0.64
CXCR1 P25024 4/20 0.64
CXCR2 P25025 4/20 0.64
LMNA P02545 3/20 0.64
AKR1C3 P42330 3/20 0.64
CYP2C9 P11712 2/20 0.64
SLC22A6 Q4U2R8 2/20 0.64
CXCL8 P10145 2/20 0.64
PMP22 Q01453 2/20 0.64
AKR1C2 P52895 2/20 0.64
ALOX5 P09917 2/20 0.64
ALB P02768 1/20 0.64
ESR1 P03372 1/20 0.64
RARB P10826 1/20 0.64
ADRB3 P13945 1/20 0.64
NFKB1 P19838 1/20 0.64
HTR2A P28223 1/20 0.64
NR1I3 Q14994 1/20 0.64
TSHR P16473 1/20 0.64

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
SCHEMBL29393183 1.00 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL66533 1.00 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL1345158 1.00 PTGS2 (0.64) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL4264095 0.88 TAAR1 (0.53) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL15295486 0.88 TAAR1 (0.53) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL15295485 0.88 TAAR1 (0.53) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9015267 0.85 LMNA (0.50) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL9425565 0.84 PTGS2 (0.56) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL3674499 0.84 PTGS2 (0.69) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL4943395 0.83 PTGS2 (0.51) PTGS2PTGS1CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116046948-A Related substance analysis method of compound preparation ibuprofen renin tablet 南京工业大学 2023-05-02 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
US-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients BASF SE (DE) 2026-02-17 US disclosed
CN-115955956-B 1-Alkoxyethyl-3-isobutylbenzene and 1-carboxyethyl-3-isobutylbenzene as aromatic components 巴斯夫欧洲公司 2026-01-13 CN disclosed
US-20240024213-A1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2024-01-25 US disclosed
EP-4225727-A1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2023-08-16 EP disclosed
EP-4225727-A1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2023-08-16 EP disclosed
EP-3978469-B1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS BASF SE (DE) 2023-07-26 EP 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-116046948-A Related substance analysis method of compound preparation ibuprofen renin tablet 南京工业大学 2023-05-02 CN disclosed
CN-115955956-A 1-alkoxyethyl-3-isobutylbenzene and 1-carboxyethyl-3-isobutylbenzene as aromatic components 巴斯夫欧洲公司 2023-04-11 CN disclosed
EP-1638505-A2 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2006-03-29 EP disclosed
WO-2005002519-A2 AMPHIPHILIC PYRIDINIUM COMPOUNDS, METHOD OF MAKING AND USE THEREOF HENRY M.JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) 2005-01-13 WO disclosed
EP-0474509-B1 Method for purification of ibuprofen comprising mixtures HOECHST CELANESE CORP (US) 1997-03-12 EP disclosed
CN-1025609-C Process for purifying 2-(4-isobutylphenyl)-propionic acid HOECHST AG (US) 1994-08-10 CN disclosed
EP-0326027-B1 PROCESS FOR THE PURIFICATION OF 2-(4-ISOBUTYLPHENYL)-PROPIONIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-23 EP disclosed
US-5151551-A Heating, washing with water, azeotroping, destabilization and crystallization HOECHST CELANESE CORPORATION (US) 1992-09-29 US disclosed
EP-0474509-A2 Method for purification of ibuprofen comprising mixtures HOECHST CELANESE CORPORATION (US) 1992-03-11 EP disclosed
CN-1035821-A The method of purification of 2-(4-isobutylphenyl)-propionic acid HOECHST AG (DE) 1989-09-27 CN disclosed
EP-0326027-A1 Process for the purification of 2-(4-isobutylphenyl)-propionic acid HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-02 EP 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-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients EBP, OR10J3, ADRA1D PTGS2 1189/4885PTGS1 698/4885CXCR1 340/4885
US-20240024213-A1 1-ALKOXYETHYL-3-ISOBUTYL-BENZENE AND 1-CARBOXYETHYL-3-ISOBUTYL-BENZENE AS AROMA INGREDIENTS CYP1B1, ALKBH1, ALKBH3 PTGS2 2135/4885PTGS1 1306/4885CXCR1 595/4885

“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.