SCHEMBL4093872

SCHEMBL4093872

CCc1c(C(C)=O)oc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.52
KDM4E B2RXH2 5/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
AHR P35869 1/20 0.48
ABCB1 P08183 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPY1R P25929 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MCL1 Q07820 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL2773751 0.86 MCL1 (0.58) PLK1KDM4EMAPTMAPK1AHR
SCHEMBL28131940 0.85 TEAD1 (0.51) PLK1KDM4EMAPTAHRNPC1
SCHEMBL13348987 0.85 PLK1 (0.51) PLK1KDM4EAHRABCB1NPC1
SCHEMBL4099301 0.83 PLK1 (0.46) PLK1KDM4EAHRABCB1SMN1; SMN2
SCHEMBL8873193 0.83 PLK1 (0.49) PLK1KDM4EMAPTAHRABCB1
SCHEMBL719454 0.82 KDM4E (0.63) PLK1KDM4EMAPTAHRSMN1; SMN2
SCHEMBL4514145 0.82 PLK1 (0.46) PLK1KDM4EMAPTMAPK1AHR
SCHEMBL4514141 0.82 PLK1 (0.46) PLK1KDM4EMAPTMAPK1AHR
Oxalic Acid SCHEMBL28849573 0.81 ALDH1A1 (0.49) PLK1KDM4EMAPTAHRSMN1; SMN2
SCHEMBL2563037 0.80 PLK1 (0.47) PLK1KDM4EAHRABCB1SMN1; SMN2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2022-07-21 US disclosed
CN-108430994-B Compounds, compositions and methods for modulating CFTR 蛋白质平衡治疗股份有限公司 2022-04-12 CN disclosed
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
EP-3359536-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2020-12-10 US disclosed
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. 2018-10-11 US disclosed
WO-2017062581-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2017-04-13 WO disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
EP-0826764-B1 Perfuming compositions comprising substituted 2-acetylbenzofuranes HAARMANN & REIMER GMBH (DE) 2003-02-26 EP disclosed
US-5972878-A A PERFUME OIL FOR PERFUMING COSMETIC COMPOSITIONS, CLEANING COMPOSITIONS, DETERGENT COMPOSITIONS, SOFTENER COMPOSITIONS, DISINFECTANT COMPOSITIONS, TEXTILE TREATMENT COMPOSITIONS AND PERFUME COMPOSITIONS HAARMANN & REIMER GMBH (DE) 1999-10-26 US disclosed
EP-0826764-A2 Use of substituted 2-acetylbenzofuranes as perfuming agents HAARMANN & REIMER GMBH (DE) 1998-03-04 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 (6 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI PLK1 3315/4885KDM4E 3209/4885MAPT 4213/4885
US-11136313-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G PLK1 790/4885KDM4E 4558/4885MAPT 4767/4885
US-20200385365-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G PLK1 790/4885KDM4E 4558/4885MAPT 4767/4885
US-20220227739-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G PLK1 790/4885KDM4E 4558/4885MAPT 4767/4885
US-10550106-B2 Compounds, compositions, and methods for modulating CFTR CFTR, SCNN1B, SCNN1G PLK1 790/4885KDM4E 4558/4885MAPT 4767/4885
US-20180291006-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR CFTR, SCNN1B, SCNN1G PLK1 790/4885KDM4E 4558/4885MAPT 4767/4885

“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.