SCHEMBL530530

SCHEMBL530530

CN1C(=O)C(=O)C(=O)N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.40
TTR P02766 1/20 0.39
CES1 P23141 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ADRA2C P18825 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
MGLL Q99685 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 3/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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 SCHEMBL9841308 0.97 CASP3 (0.39) CASP3TTRCES1CA12CA1
SCHEMBL133474 0.85 GSK3A (0.39) CASP3TTRCES1CA12CA1
SCHEMBL2601688 0.76
SCHEMBL6366575 0.76 F2 (0.48) CASP3TTRCES1GSK3AGSK3B
SCHEMBL24599365 0.73 MEN1 (0.36) CA12CA1CA2CA7CA9
SCHEMBL6338046 0.73 ADRA2C (0.32) CA12CA1CA2CA7CA9
SCHEMBL6614354 0.73 ADRA2C (0.32) CA12CA1CA2CA7CA9
SCHEMBL12220326 0.73 ADRA2C (0.32) CA12CA1CA2CA7CA9
SCHEMBL10095225 0.71 ADRA2C (0.30) ADRA2CGSK3AGSK3BMGLLKMT2A
SCHEMBL12588782 0.69 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US claimed
US-7204857-B1 Dyeing method using a specific active methylene compound and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL S.A. (FR) 2007-04-17 US claimed
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-6458168-B1 Hair dyeing method using an aliphatic cationic amine and compound chosen from an aldehyde, a ketone, a quinone, a di-imino-isoindoline, and a 3-aminoisoindolone derivative L'OREAL S.A. (FR) 2002-10-01 US claimed
US-20020131953-A1 In situ langerhans cell vaccine UT SOUTHWESTERN MEDICAL CENTER 2002-09-19 US claimed
WO-2002072026-A2 IN SITU LANGERHANS CELL VACCINE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2002-09-19 WO claimed
US-6451067-B1 HAIR DYE MIXTURE L'OREAL S.A. (FR) 2002-09-17 US claimed
EP-0759040-B1 CARBONYL CONTAINING COMPOUNDS AND THEIR DERIVATIVES AS MULTI-FUNCTIONAL FUEL AND LUBE ADDITIVES EXXON RESEARCH ENGINEERING CO (US) 1999-01-27 EP claimed
EP-0759040-A1 CARBONYL CONTAINING COMPOUNDS AND THEIR DERIVATIVES AS MULTI-FUNCTIONAL FUEL AND LUBE ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1997-02-26 EP claimed
WO-1995031488-A1 CARBONYL CONTAINING COMPOUNDS AND THEIR DERIVATIVES AS MULTI-FUNCTIONAL FUEL AND LUBE ADDITIVES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1995-11-23 WO claimed
EP-0208533-A2 Shampoo compositions and use thereof THE PROCTER & GAMBLE COMPANY (US) 1987-01-14 EP claimed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO 2023-05-04 US disclosed
EP-3180047-B1 PROCESS FOR MANUFACTURING A CUSTOMIZABLE MEDICAL DEVICE AND DEVICE OBTAINED BY SAID PROCESS INST DINVESTIGACIO BIOMEDICA DE BELLVITGE IDIBELL (ES) 2018-10-24 EP disclosed
US-20170274123-A1 PROCESS FOR MANUFACTURING A CUSTOMIZABLE MEDICAL DEVICE AND DEVICE OBTAINED BY SAID PROCESS INSTITUT D'INVESTIGACIÓ BIOMÈDICA DE BELLVITGE (IDIBELL) (ES) 2017-09-28 US disclosed
US-5288811-A Cyclic carbonyl containing compounds via radical grafting EXXON RESEARCH AND ENGINEERING COMPANY (US) 1994-02-22 US disclosed
US-5254249-A Anti-thrombogenic blood treating system TORAY INDUSTRIES, INC. (JP) 1993-10-19 US disclosed
EP-0412710-A2 Vehicle systems for use in cosmetic compositions THE PROCTER & GAMBLE COMPANY (US) 1991-02-13 EP disclosed
EP-0404532-A1 Antiperspirant compositions THE PROCTER & GAMBLE COMPANY (US) 1990-12-27 EP disclosed
EP-0133336-A1 High strength, heat curable polyorganosiloxane elastomer compositions and method for preparing same DOW CORNING CORPORATION (US) 1985-02-20 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 CASP3 1022/4885TTR 3199/4885CES1 3158/4885
US-20230137943-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS PPIA, S100A4, S100A6 CASP3 2487/4885TTR 717/4885CES1 3820/4885

“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.