SCHEMBL6410944

SCHEMBL6410944

CC(C)CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
GSK3B P49841 2/20 0.57
L3MBTL1 Q9Y468 5/20 0.55
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
MAPT P10636 2/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PDPK1 O15530 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL28750358 0.89 MMP1 (0.55) POLBGSK3BL3MBTL1CYP2C9CYP2C19
SCHEMBL11839825 0.86 POLB (0.58) POLBGSK3BL3MBTL1CYP2C9CYP2C19
SCHEMBL16313486 0.84 POLB (0.57) POLBGSK3BL3MBTL1CYP2C9CYP2C19
SCHEMBL3031841 0.84 POLB (0.57) POLBGSK3BL3MBTL1CYP2C9CYP2C19
SCHEMBL17148448 0.83 KMT2A (0.52) POLBL3MBTL1RAB9AKMT2AMAPT
SCHEMBL8306301 0.82 POLB (0.64) POLBGSK3BL3MBTL1CYP2C9CYP2C19
SCHEMBL11187061 0.81 POLB (0.54) POLBGSK3BL3MBTL1CYP2C9CYP2C19
SCHEMBL5310609 0.81 POLB (0.54) POLBGSK3BL3MBTL1CYP2C9CYP2C19
SCHEMBL6781250 0.81 HSD17B3 (0.55) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL507140 0.81 GSK3B (0.57) POLBGSK3BL3MBTL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315667-B Preparation method and application of 2-methyl-2-chloro-1- [4- (methylthio) phenyl ] -1-propanone 湖南久日新材料有限公司 2024-12-31 CN disclosed
WO-2023196556-A1 CANNABINOID RECEPTOR 1 ANTAGONISTS/INVERSE AGONISTS AND USES THEREOF CORBUS PHARMACEUTICALS, INC. (US) 2023-10-12 WO disclosed
WO-2023086799-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
WO-2023086800-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
CN-113045532-A Intermediate for preparing S-flurbiprofen and preparation method and application thereof 上海医药工业研究院 2021-06-29 CN disclosed
EP-3702355-A1 SUBSTITUTED PYRAZOLE COMPOUNDS CONTAINING PYRIMIDINE, THE PREPARATION AND APPLICATION THEREOF Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2020-09-02 EP disclosed
US-20180071257-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. 2018-03-15 US disclosed
US-9770026-B2 Substituted pyrimidine compound and uses thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2017-09-26 US disclosed
US-9750722-B2 Diazole amides CHEMOCENTRYX, INC. (US) 2017-09-05 US disclosed
US-20160193185-A1 DIAZOLE AMIDES CHEMOCENTRYX, INC. 2016-07-07 US disclosed
EP-0210589-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE ALPHA-HALOGEN KETALS ZAMBON S.p.A. (IT) 1990-09-26 EP disclosed
US-4888433-A CHIRAL HALOGENATED KETALS WHICH UNDERGO STEREOSELECTIVE REARRANGEMENT ZAMBON, S.P.A. (IT) 1989-12-19 US disclosed
US-4861903-A Intermediates for preparing optically active carboxylic acids ZAMBON SPA (IT) 1989-08-29 US disclosed
US-4810819-A STEREOSELECTIVE HALOGENATION AND REARRANGEMENT ZAMBON SPA (IT) 1989-03-07 US disclosed
US-4759789-A Treating locus of plant before or during application of herbicide with oxime ether compound CIBA-GEIGY CORPORATION (US) 1988-07-26 US disclosed
EP-0158913-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ALPHA-ARYLALKANOIC ACIDS AND INTERMEDIATES THEREOF ZAMBON S.p.A. (IT) 1988-07-20 EP disclosed
US-4697036-A HALOGENATION, REARRANGEMENT ZAMBON S.P.A. (IT) 1987-09-29 US disclosed
EP-0210589-A2 Process for preparing optically active alpha-halogen ketals ZAMBON S.p.A. (IT) 1987-02-04 EP disclosed
US-4566901-A PLANT SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1986-01-28 US disclosed
EP-0158913-A2 Process for the preparation of optically active alpha-arylalkanoic acids and intermediates thereof ZAMBON S.p.A. (IT) 1985-10-23 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-20180071257-A1 DIAZOLE AMIDES CCR1, CCRL2, CCR4 POLB 3771/4885GSK3B 3023/4885L3MBTL1 614/4885
US-20160193185-A1 DIAZOLE AMIDES CCR1, CCRL2, CCR4 POLB 3771/4885GSK3B 3023/4885L3MBTL1 614/4885

“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.