SCHEMBL3133941

SCHEMBL3133941

COC(=O)Cc1ccc(C(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.61
CYP4A11 Q02928 1/20 0.61
KMT2A Q03164 2/20 0.57
MAPT P10636 4/20 0.55
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
HSP90AB1 P08238 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TP53 P04637 1/20 0.46
MAOB P27338 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL4113212 0.87 CYP4F2 (0.76) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL26502663 0.85 CYP4F2 (0.58) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL479979 0.84 CYP4F2 (0.61) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL1198228 0.84 LOXL2 (0.63) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL4613929 0.83 CYP4F2 (0.66) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL23582497 0.82 CYP4F2 (0.59) CYP4F2CYP4A11MAPTALDH1A1SMN1; SMN2
SCHEMBL968517 0.82 CYP4F2 (0.59) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL168858 0.81 KMT2A (0.59) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL8776608 0.81 CYP4F2 (0.62) CYP4F2CYP4A11KMT2AMAPTALDH1A1
SCHEMBL5042255 0.81 KMT2A (0.67) CYP4F2CYP4A11KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615525-B1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2024-12-25 EP disclosed
US-11884656-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2024-01-30 US disclosed
US-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-09-07 US disclosed
US-20230174483-A1 INDIRUBIN DERIVATIVES, AND USES THEREOF CITY OF HOPE (US) 2023-06-08 US disclosed
US-20230174483-A1 INDIRUBIN DERIVATIVES, AND USES THEREOF CITY OF HOPE (US) 2023-06-08 US disclosed
CN-110573503-B Pyrrole derivatives as PLK1 inhibitors 圣提内尔肿瘤学有限公司 2023-03-17 CN disclosed
US-11524937-B2 Indirubin derivatives, and uses thereof CITY OF HOPE (US) 2022-12-13 US disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2022-05-05 US disclosed
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2021-12-28 US disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-20100081799-A1 Chelating Agent TECHNISCHE UNIVERSITAT MUNCHEN (DE) 2010-04-01 US disclosed
CN-101605768-A Sequestrant UNIV MUENCHEN TECH (DE) 2009-12-16 CN disclosed
EP-2099776-A1 CHELATING AGENT Technische Universität München (DE) 2009-09-16 EP disclosed
WO-2008068516-A1 CHELATING AGENT Technische Universität München (DE) 2008-06-12 WO disclosed
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed
CN-1183770-A Piperazine derivatives, medicaments containing these compounds, their use and processes for their preparation THOMAE GMBH DR K (DE) 1998-06-03 CN disclosed
US-5700801-A ANTIINFLAMMATORY AGENTS, BONE DISORDERS KARL THOMAE, GMBH (DE) 1997-12-23 US disclosed
CN-1131665-A Piperazine derivatives, medicaments comprising these compounds, their use and processes for their preparation THOMAE GMBH DR K (DE) 1996-09-25 CN 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 (8 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-20230174483-A1 INDIRUBIN DERIVATIVES, AND USES THEREOF HCCS, ABL1, MAP3K7 CYP4F2 2830/4885CYP4A11 1460/4885KMT2A 1407/4885
US-11524937-B2 Indirubin derivatives, and uses thereof HCCS, ABL1, MAP3K7 CYP4F2 2830/4885CYP4A11 1460/4885KMT2A 1407/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CYP4F2 2810/4885CYP4A11 1793/4885KMT2A 3548/4885
US-11884656-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC CYP4F2 3579/4885CYP4A11 3153/4885KMT2A 1988/4885
US-20230279010-A1 PROCESSES FOR PREPARING MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINE1 CYP4F2 3319/4885CYP4A11 1481/4885KMT2A 4507/4885
US-20100081799-A1 Chelating Agent HRH3, C3AR1, H1-3 CYP4F2 953/4885CYP4A11 3093/4885KMT2A 365/4885
US-20220135552-A1 PYRROLE DERIVATIVES AS PLK1 INHIBITORS PLK1, CDK1, AURKC CYP4F2 3579/4885CYP4A11 3153/4885KMT2A 1988/4885
US-11208405-B2 Pyrrole derivatives as PLK1 inhibitors PLK1, CDK1, AURKC CYP4F2 3527/4885CYP4A11 3027/4885KMT2A 2079/4885

“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.