SCHEMBL421871

SCHEMBL421871

CC(C)(C)OC(=O)n1cccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.42
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 1/20 0.35
BUB1 O43683 1/20 0.35
MAPK1 P28482 1/20 0.35
NR1H2 P55055 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34

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
SCHEMBL28211953 0.98 BCHE (0.41) BCHEUSP2SMN1; SMN2GPR119CHRM2
Potassium SCHEMBL30616266 0.98 BCHE (0.41) BCHEUSP2SMN1; SMN2GPR119CHRM2
SCHEMBL6013824 0.96 BCHE (0.40) BCHEUSP2SMN1; SMN2GPR119CHRM2
Oxalic Acid SCHEMBL27815998 0.94 BCHE (0.39) BCHEUSP2SMN1; SMN2GPR119CHRM2
SCHEMBL14244805 0.92 BCHE (0.38) BCHEUSP2SMN1; SMN2GPR119CHRM2
Acetaldehyde SCHEMBL27475905 0.92 BCHE (0.38) BCHEUSP2SMN1; SMN2GPR119CHRM2
SCHEMBL21190321 0.85 BCHE (0.44) BCHEGPR119CHRM2CHRM1CHRM3
SCHEMBL27815602 0.82 L3MBTL1 (0.33) BCHEUSP2SMN1; SMN2GPR119CTSK
SCHEMBL27815997 0.81 BCHE (0.33) BCHEUSP2SMN1; SMN2GPR119
SCHEMBL3246759 0.79 BCHE (0.41) BCHEUSP2SMN1; SMN2GPR119MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521238-B Preparation method of N-methyl-2- (2-chloroethyl) pyrrolidine 甘肃瀚聚药业有限公司 2024-05-31 CN claimed
CN-115417993-B SiCOBN ceramic precursor and preparation method of ceramic 哈尔滨工业大学 2023-11-14 CN claimed
CN-115417993-A SiCOBN ceramic precursor and preparation method of ceramic 哈尔滨工业大学 2022-12-02 CN claimed
CN-112358493-B Micromolecular photothermal reagent based on boron-fluorine complex and preparation method and application thereof 南京林业大学 2022-06-21 CN claimed
CN-114315880-A Near-infrared two-region fluorescence and photoacoustic bimodal imaging reagent based on boron-fluorine complex 南京林业大学 2022-04-12 CN claimed
CN-112358493-A Micromolecular photothermal reagent based on boron-fluorine complex and preparation method and application thereof 南京林业大学 2021-02-12 CN claimed
CN-111960983-A N-methyl-3- (1-methylpyrrolidine-3-yl) propyl-1-amine and synthetic method thereof 南通大学 2020-11-20 CN claimed
CN-111533715-A 2(5H) -furan-2-one derivative, preparation method thereof and application thereof in inhibiting rice tillering 南京农业大学 2020-08-14 CN claimed
CN-109415371-A Novel 2-acylamino thiazole derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2019-03-01 CN claimed
CN-107022905-B A kind of terylene cotton elastic knitting fabric dyeing 通亿(泉州)轻工有限公司 2019-02-22 CN claimed
EP-1554269-A1 IMIDAZOLES, OXAZOLES AND THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITIES Vertex Pharmaceuticals Incorporated (US) 2005-07-20 EP claimed
WO-2005023246-A1 SUBSTITUTED INDOLES AS INHIBITORS OF POLY (ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-17 WO claimed
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-03-10 US claimed
US-20040097531-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-05-20 US claimed
EP-1389206-A2 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2004-02-18 EP claimed
US-20040023963-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases CAO JINGRONG (US) 2004-02-05 US claimed
WO-2004005283-A1 IMIDAZOLES, OXAZOLES AND THIAZOLES WITH PROTEIN KINASE INHIBITING ACTIVITIES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-01-15 WO claimed
US-6642227-B2 Such as 2-methylsulfanyl-5-(2-phenylamino-pyrimidin-4-yl)-4-p-tolyl-thiophene-3 -carbonitrile; antiproliferative agents; stents VERTEX PHARMACEUTICALS INCORPORATED 2003-11-04 US claimed
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2003-05-22 US claimed
WO-2002083667-A2 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-10-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20040023963-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 BCHE 3019/4885USP2 3088/4885SMN1; SMN2 3102/4885
US-20050054631-A1 Substituted indoles as inhibitors of poly (ADP-ribose) polymerase (PARP) PARP1, PARP11, PARP3 BCHE 3431/4885USP2 3131/4885SMN1; SMN2 2099/4885
US-20030096816-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, MAPK1, MAP3K1 BCHE 3019/4885USP2 3088/4885SMN1; SMN2 3102/4885
US-20040097531-A1 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases LCK, AURKC, CDK5 BCHE 3525/4885USP2 2703/4885SMN1; SMN2 3100/4885

“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.