SCHEMBL455104

SCHEMBL455104

CC(=O)C(C)(C)NCCCNC(C)(C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.32
TP53BP1 Q12888 4/20 0.32
KDM4C Q9H3R0 1/20 0.31
PAOX Q6QHF9 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL1477727 0.94 KDM4E (0.42) KDM4EMAPK1HIF1AGAAKDM4C
SCHEMBL8475877 0.92 KDM4E (0.46) KDM4EMAPK1HIF1APAOXPOLB
SCHEMBL7127257 0.88 GAA (0.35) KDM4EMAPK1HIF1AGAAKDM4C
SCHEMBL24779728 0.87 EPHX1 (0.41) KDM4C
SCHEMBL7129242 0.85
SCHEMBL7129237 0.85
SCHEMBL8476029 0.82 MEN1 (0.37) KDM4EMAPK1HIF1APAOXPOLB
SCHEMBL7130257 0.82
SCHEMBL12248067 0.80 APP (0.37) KDM4EMAPK1HIF1A
SCHEMBL26452808 0.79 PAOX (0.37) KDM4EGAAPAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177326-A1 SELF-ASSEMBLING MOLECULES THAT ACCUMULATE IN ACIDIC TUMOR MICROENVIRONMENTS The Ohio State Innovation Foundation (US) 2017-06-14 EP claimed
WO-2016022987-A1 SELF-ASSEMBLING MOLECULES THAT ACCUMULATE IN ACIDIC TUMOR MICROENVIRONMENTS OHIO STATE INNOVATION FOUNDATION (US) 2016-02-11 WO claimed
US-20140363378-A1 SELF-ASSEMBLING MOLECULES THAT ACCUMULATE IN ACIDIC TUMOR MICROENVIRONMENTS THE OHIO STATE UNIVERSITY 2014-12-11 US claimed
WO-2013116645-A1 SELF-ASSEMBLING MOLECULES THAT ACCUMULATE IN ACIDIC TUMOR MICROENVIRONMENTS THE OHIO STATE UNIVERSITY (US) 2013-08-08 WO claimed
US-6660246-B1 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione 2-Hydrazone 10-Oxime; BRACCO INTERNATIONAL, BV (NL) 2003-12-09 US claimed
US-5776894-A Chelated somatostatin peptides and complexes thereof, pharmaceutical compositions containing them and their use in treating tumors NOVARTIS AG (CH) 1998-07-07 US claimed
US-5753627-A Use of certain complexed somatostatin peptides for the invivo imaging of somatostatin receptor-positive tumors and metastasis NOVARTIS AG (CH) 1998-05-19 US claimed
EP-0688313-B1 LIGANDS AND METAL COMPLEXES THEREOF BRACCO INT BV (NL) 1998-04-08 EP claimed
US-5663307-A Hydrazone containing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-02 US claimed
EP-0688313-A1 LIGANDS AND METAL COMPLEXES THEREOF BRACCO International B.V. (NL) 1995-12-27 EP claimed
WO-1995019338-A1 LIGANDS AND METAL COMPLEXES THEREOF BRACCO INTERNATIONAL B.V. (NL) 1995-07-20 WO claimed
EP-0123504-B1 COMPLEXES OF TECHNETIUM-99M WITH ALKYLENE AMINE OXIMES AMERSHAM INTERNATIONAL plc (GB) 1989-09-20 EP claimed
CN-111225679-B Novel peptide-based cancer imaging agents 俄亥俄州创新基金会 2024-03-29 CN disclosed
US-20230338584-A1 NOVEL PEPTIDE-BASED CANCER IMAGING AGENTS OHIO STATE INNOVATION FOUNDATION 2023-10-26 US disclosed
WO-2023086152-A1 SYSTEMS AND METHODS FOR THE PRODUCTION OF METHEMOGLOBIN AND ITS DERIVATIVES OHIO STATE INNOVATION FOUNDATION (US) 2023-05-19 WO disclosed
US-20220218834-A1 APOHEMOGLOBIN-HAPTOGLOBIN COMPLEXES AND METHODS OF USING THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-07-14 US disclosed
EP-0544412-A2 Rhenium and technetium complexes containing a hypoxia-localizing moiety BRACCO INTERNATIONAL B.V. (NL) 1993-06-02 EP disclosed
EP-0123504-B1 COMPLEXES OF TECHNETIUM-99M WITH ALKYLENE AMINE OXIMES AMERSHAM INTERNATIONAL plc (GB) 1989-09-20 EP disclosed
US-4615876-A IMAGING BY SCINTILLATION SCANNING CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1986-10-07 US disclosed
EP-0123504-A2 Complexes of technetium-99m with alkylene amine oximes AMERSHAM INTERNATIONAL plc (GB) 1984-10-31 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-20140363378-A1 SELF-ASSEMBLING MOLECULES THAT ACCUMULATE IN ACIDIC TUMOR MICROENVIRONMENTS TP53, EGFR, HIF1A KDM4E 4390/4885MAPK1 2547/4885HIF1A 3/4885
US-20220218834-A1 APOHEMOGLOBIN-HAPTOGLOBIN COMPLEXES AND METHODS OF USING THEREOF HBG1, HBG2, LPO KDM4E 4777/4885MAPK1 4496/4885HIF1A 1634/4885

“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.