SCHEMBL2445778

SCHEMBL2445778

CCNCCN(CCN(CCNCC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
ALOX15 P16050 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
EYA2 O00167 1/20 0.45
APP P05067 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL3799331 0.91 TDP1 (0.60) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL22053950 0.91 TDP1 (0.58) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL13060101 0.91 TDP1 (0.58) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL700015 0.89 KDM4E (0.48) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL13261104 0.89 KDM4E (0.48) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL700291 0.89 TDP1 (0.62) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL7587742 0.89 TDP1 (0.54) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL21320724 0.87 TDP1 (0.45) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL30034529 0.87 LMNA (0.50) TDP1KDM4EBLMPMP22ALOX15
SCHEMBL18793625 0.87 TDP1 (0.54) TDP1KDM4EBLMPMP22ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230414795-A1 PSMA TARGETED COMPOUNDS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2023-12-28 US claimed
US-11738099-B2 Molecular probes and methods of use CASE WESTERN RESERVE UNIVERSITY (US) 2023-08-29 US claimed
CN-116157159-A Diagnosis and monitoring using off-domain-B fibronectin targeting probes 凯斯西储大学 2023-05-23 CN claimed
EP-4161584-A2 DIAGNOSIS AND MONITORING USING EXTRADOMAIN-B FIBRONECTIN TARGETED PROBES Case Western Reserve University (US) 2023-04-12 EP claimed
US-20220160903-A1 PEPTIDE PET/SPECT PROBES SPECIFIC TO ONCOPROTEINS IN TUMOR EXTRACELLULAR MATRIX CASE WESTERN RESERVE UNIVERSITY 2022-05-26 US claimed
CN-113727737-A Tumor extracellular matrix oncoprotein specific peptide PET/SPECT probe 卡斯西部储备大学 2021-11-30 CN claimed
US-20210275695-A1 MOLECULAR PROBES AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-09-09 US claimed
US-10925980-B2 Molecular probes and methods of use CASE WESTERN RESERVE UNIVERSITY (US) 2021-02-23 US claimed
US-20180311385-A1 NOVEL KININ-BASED THERANOSTIC PROBES FOR SOLID CANCERS AND USES THEREOF SOCIETE DE COMMERCIALISATION DES PRODUITS DE LA RECHERCHE APPLIQUEE SOCPRA SANTE ET HUMAINES, S.E.C. (CA) 2018-11-01 US claimed
US-20180110886-A1 MOLECULAR PROBES AND METHODS OF USE CASE WESTERN RESERVE UNIVERSITY 2018-04-26 US claimed
US-9011816-B2 Fibronectin targeting contrast agent CASE WESTERN RESERVE UNIVERSITY (US) 2015-04-21 US claimed
US-20120244070-A1 FIBRONECTIN TARGETING CONTRAST AGENT CASE WESTERN RESERVE UNIVERSITY 2012-09-27 US claimed
US-20110236316-A1 PEPTIDE TARGETING IMAGING AGENTS AND METHODS OF USE THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION 2011-09-29 US claimed
EP-2257314-A2 PEPTIDE TARGETING IMAGING AGENTS AND METHODS OF USE THEREOF University of Utah Research Foundation (US) 2010-12-08 EP claimed
US-20100284927-A1 USE OF MRI CONTRAST AGENTS FOR EVALUATING THE TREATMENT OF TUMORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-11-11 US claimed
US-7745590-B1 Degradable macromolecular magnetic resonance imaging contrast agents and methods thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-06-29 US claimed
WO-2009111273-A2 PEPTIDE TARGETING IMAGING AGENTS AND METHODS OF USE THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-09-11 WO claimed
EP-2081979-A2 DENDRIMERS AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2009-07-29 EP claimed
WO-2009055542-A1 USE OF MRI CONTRAST AGENTS FOR EVALUATING THE TREATMENT OF TUMORS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2009-04-30 WO claimed
WO-2008121153-A2 DENDRIMERS AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2008-10-09 WO claimed

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-20120244070-A1 FIBRONECTIN TARGETING CONTRAST AGENT FN1, CFD, VCAM1 TDP1 3921/4885KDM4E 4542/4885BLM 2219/4885
US-11738099-B2 Molecular probes and methods of use DDX21, FUS, DDIT3 TDP1 424/4885KDM4E 2772/4885BLM 432/4885
US-20230414795-A1 PSMA TARGETED COMPOUNDS AND USES THEREOF FOLH1, PSMA6, PSMA2 TDP1 2678/4885KDM4E 2640/4885BLM 3132/4885
US-20220160903-A1 PEPTIDE PET/SPECT PROBES SPECIFIC TO ONCOPROTEINS IN TUMOR EXTRACELLULAR MATRIX FN1, EDNRB, NGLY1 TDP1 2777/4885KDM4E 4454/4885BLM 4443/4885
US-20100284927-A1 USE OF MRI CONTRAST AGENTS FOR EVALUATING THE TREATMENT OF TUMORS TSG101, SMARCE1, CD68 TDP1 2248/4885KDM4E 3274/4885BLM 1953/4885
US-10925980-B2 Molecular probes and methods of use EDNRB, FGB, FN1 TDP1 2798/4885KDM4E 4632/4885BLM 3404/4885
US-20210275695-A1 MOLECULAR PROBES AND METHODS OF USE EDNRB, FGB, FN1 TDP1 2798/4885KDM4E 4632/4885BLM 3404/4885
US-20180110886-A1 MOLECULAR PROBES AND METHODS OF USE EDNRB, FGB, FN1 TDP1 2798/4885KDM4E 4632/4885BLM 3404/4885

“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.