SCHEMBL360287

SCHEMBL360287

O=CC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.63
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP1B1 Q16678 1/20 0.57
CES2 O00748 1/20 0.55
SRD5A2 P31213 1/20 0.55
MAOB P27338 5/20 0.54
MAOA P21397 3/20 0.54
GSK3B P49841 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
BCHE P06276 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
Water SCHEMBL836819 0.98 CES1 (0.61) CES1CA1CA2TDP1TSHR
Oxalic Acid SCHEMBL27286923 0.94 TDP1 (0.60) CES1CA1CA2TDP1TSHR
SCHEMBL10825957 0.91 MAPK1 (0.76) CES1CA1CA2TDP1TSHR
SCHEMBL8923535 0.85 MAOB (0.50) CES1CA1CA2TDP1TSHR
SCHEMBL5099884 0.82 CES1 (0.61) CES1CA1CA2TDP1TSHR
SCHEMBL8024786 0.82 MAPK1 (0.62) CES1CA1CA2TDP1TSHR
SCHEMBL10861302 0.80 TDP1 (0.62) CES1CA1CA2TDP1TSHR
SCHEMBL18124632 0.79 CYP3A4 (0.53) CES1CA1CA2TSHRALDH1A1
SCHEMBL222221 0.79 ALDH1A1 (0.74) TDP1TSHRALDH1A1MAPK1CYP1B1
SCHEMBL2561308 0.79 MAOB (0.62) CES1CA1CA2TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220290106-A1 Method for Promoting Cell Proliferation, and Method for Preparing Cell Cluster OSAKA UNIVERSITY (JP) 2022-09-15 US claimed
EP-3998333-A1 METHOD FOR PROMOTING CELL PROLIFERATION, AND METHOD FOR PREPARING CELL CLUSTER Osaka University (JP) 2022-05-18 EP claimed
US-20220143198-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES THE UNIVERSITY OF CHICAGO (US) 2022-05-12 US claimed
CN-114269332-A Compositions and methods relating to tethered ethoxydihydroxybutanone derivatives 芝加哥大学 2022-04-01 CN claimed
EP-3972576-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES The University of Chicago (US) 2022-03-30 EP claimed
WO-2021006346-A1 METHOD FOR PROMOTING CELL PROLIFERATION, AND METHOD FOR PREPARING CELL CLUSTER 国立大学法人大阪大学 2021-01-14 WO claimed
WO-2020237262-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES THE UNIVERSITY OF CHICAGO (US) 2020-11-26 WO claimed
US-20130189245-A1 METHOD FOR PRODUCING TOXOIDS USING ALPHA-DICARBONYL COMPOUNDS THE SECRETARY OF STATE FOR DEFENCE (GB) 2013-07-25 US claimed
EP-2593132-A2 METHOD FOR PRODUCING TOXOIDS USING ALPHA - DICARBONYL COMPOUNDS& xA; The Secretary of State for Defence (GB) 2013-05-22 EP claimed
CN-103079590-A Method for producing toxoids using alpha - dicarbonyl compounds SECR DEFENCE 2013-05-01 CN claimed
WO-2012007728-A2 TOXOIDING METHOD THE SECRETARY OF STATE FOR DEFENCE (GB) 2012-01-19 WO claimed
US-20220290106-A1 Method for Promoting Cell Proliferation, and Method for Preparing Cell Cluster OSAKA UNIVERSITY (JP) 2022-09-15 US disclosed
EP-3998333-A1 METHOD FOR PROMOTING CELL PROLIFERATION, AND METHOD FOR PREPARING CELL CLUSTER Osaka University (JP) 2022-05-18 EP disclosed
US-20220143198-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES THE UNIVERSITY OF CHICAGO (US) 2022-05-12 US disclosed
US-20220143198-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES THE UNIVERSITY OF CHICAGO (US) 2022-05-12 US disclosed
EP-0617283-A1 Method for measuring adenyl group-containing substances MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-09-28 EP disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 US disclosed
US-4129729-A PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1978-12-12 US 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 (1 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-20220143198-A1 COMPOSITIONS AND METHODS RELATED TO TETHERED KETHOXAL DERIVATIVES KLK3, ANXA6, CKMT1A; CKMT1B CES1 3018/4885CA1 1090/4885CA2 1766/4885

“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.