SCHEMBL9518384

SCHEMBL9518384

CC(C)Cc1ccc(C(=O)C(C)Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
LMNA P02545 3/20 0.50
ALOX5 P09917 3/20 0.50
CYP2C9 P11712 2/20 0.50
AKR1C3 P42330 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
FAAH O00519 2/20 0.50
ALB P02768 1/20 0.50
ESR1 P03372 1/20 0.50
RARB P10826 1/20 0.50
ADRB3 P13945 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
NR1I3 Q14994 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C2 P52895 1/20 0.50

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
SCHEMBL10750896 0.89 PTGS1 (0.50) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL3675412 0.84 PTGS1 (0.53) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL10750729 0.84 FAAH (0.46) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL11488327 0.82 PTGS1 (0.52) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL6675858 0.81 PTGS1 (0.50) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL10747854 0.81 GSK3B (0.52) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL3395331 0.81 CA2 (0.50) PTGS1LMNATSHRALDH1A1HPGD
SCHEMBL1966513 0.80 CXCR1 (0.53) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL21064585 0.79 PTGS1 (0.57) PTGS1PTGS2LMNAALOX5CYP2C9
SCHEMBL25477242 0.79 PTGS1 (0.49) PTGS1PTGS2LMNAALOX5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118209666-A Method for detecting ibuprofen intermediate isomer 山东新华制药股份有限公司 2024-06-18 CN claimed
CN-111879880-B Method for detecting 3 intermediates in ibuprofen 珠海润都制药股份有限公司 2022-08-23 CN claimed
JP-58010525-A None JP disclosed
CN-118209666-A Method for detecting ibuprofen intermediate isomer 山东新华制药股份有限公司 2024-06-18 CN disclosed
CN-118209666-A Method for detecting ibuprofen intermediate isomer 山东新华制药股份有限公司 2024-06-18 CN disclosed
CN-117342938-A Preparation method of ibuprofen 常州大学 2024-01-05 CN disclosed
US-11826726-B2 Active zinc-based catalyst and preparation method thereof, and use in catalyzing rearrangement reaction of ibuprofen QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-11-28 US disclosed
US-11826726-B2 Active zinc-based catalyst and preparation method thereof, and use in catalyzing rearrangement reaction of ibuprofen QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-11-28 US disclosed
US-20230311096-A1 ACTIVE ZINC-BASED CATALYST AND PREPARATION METHOD THEREOF, AND USE IN CATALYZING REARRANGEMENT REACTION OF IBUPROFEN QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-10-05 US disclosed
US-20230311096-A1 ACTIVE ZINC-BASED CATALYST AND PREPARATION METHOD THEREOF, AND USE IN CATALYZING REARRANGEMENT REACTION OF IBUPROFEN QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-10-05 US disclosed
CN-116425698-B Methylthiazole compound and preparation method and application thereof 广东省科学院微生物研究所(广东省微生物分析检测中心) 2023-08-29 CN disclosed
US-4539420-A Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-09-03 US disclosed
EP-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP disclosed
EP-0034871-B1 PROCESS FOR PREPARING ESTERS OF ALKANOIC ACIDS VIA REARRANGEMENT OF ALPHA-HALOKETALS BLASCHIM S.p.A. (IT) 1985-07-31 EP disclosed
EP-0071299-B1 PROCESS FOR PREPARING ALKANOIC ACIDS OR ESTERS THEREOF BY REARRANGEMENT OF ALPHA-HALO-KETONES IN PROTIC MEDIUM AND IN THE PRESENCE OF A NON-NOBLE METAL SALT BLASCHIM S.p.A. (IT) 1984-10-31 EP disclosed
EP-0071299-A1 Process for preparing alkanoic acids or esters thereof by rearrangement of alpha-halo-ketones in protic medium and in the presence of a non-noble metal salt BLASCHIM S.p.A. (IT) 1983-02-09 EP disclosed
JP-S5810525-A PREPARATION OF OPTICAL ACTIVE 1-AROMATIC GROUP-SUBSTITUTED-1-ALKANONES SAGAMI CHEM RES CENTER 1983-01-21 JP disclosed
EP-0067698-A2 Optically active 1-aromatic-group-substituted-1-alkanones and methods for their manufacture SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-12-22 EP disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP disclosed
EP-0034871-A2 Process for preparing esters of alkanoic acids via rearrangement of alpha-haloketals BLASCHIM S.p.A. (IT) 1981-09-02 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-11826726-B2 Active zinc-based catalyst and preparation method thereof, and use in catalyzing rearrangement reaction of ibuprofen SOD1, ZNF787, CDK6 PTGS1 61/4885PTGS2 83/4885LMNA 2566/4885
US-20230311096-A1 ACTIVE ZINC-BASED CATALYST AND PREPARATION METHOD THEREOF, AND USE IN CATALYZING REARRANGEMENT REACTION OF IBUPROFEN SOD1, ZNF787, CDK6 PTGS1 61/4885PTGS2 83/4885LMNA 2566/4885

“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.