SCHEMBL6151050

SCHEMBL6151050

CCN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.75
ALOX15 P16050 3/20 0.75
BLM P54132 2/20 0.75
PMP22 Q01453 2/20 0.75
KDM4E B2RXH2 2/20 0.75
TSHR P16473 2/20 0.75
CYP2C19 P33261 2/20 0.75
LMNA P02545 1/20 0.75
CHRM2 P08172 1/20 0.75
ADRA2A P08913 1/20 0.75
DRD1 P21728 1/20 0.75
SLC6A2 P23975 1/20 0.75
SLC6A4 P31645 1/20 0.75
ADRA1A P35348 1/20 0.75
DRD3 P35462 1/20 0.75
SLC6A3 Q01959 1/20 0.75
HRH3 Q9Y5N1 1/20 0.75
EYA2 O00167 1/20 0.70
APP P05067 1/20 0.70
ACE P12821 1/20 0.70

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
SCHEMBL21539376 1.00 TDP1 (0.75) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL1102344 0.97 TDP1 (0.70) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL1698787 0.97 TDP1 (0.74) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL5521524 0.95 TDP1 (0.75) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL19962177 0.95 TDP1 (0.75) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL8988039 0.95 TDP1 (0.68) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL12358747 0.92 TDP1 (0.74) TDP1ALOX15BLMPMP22KDM4E
Edetic Acid SCHEMBL5934006 0.92 TDP1 (0.74) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL22571480 0.92 TDP1 (0.70) TDP1ALOX15BLMPMP22KDM4E
SCHEMBL18251067 0.92 TDP1 (0.65) TDP1ALOX15BLMPMP22KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-01-20 US disclosed
US-10696631-B2 Chemical conjugates of evans blue derivatives and their use as radiotherapy and imaging agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-30 US disclosed
US-10689415-B2 Conjugates of RGD peptides and (bacterio)chlorophyll photosensitizers YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-06-23 US disclosed
US-20190084931-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS US HEALTH 2019-03-21 US disclosed
US-9957293-B2 Conjugates of RGD peptides and porphyrin or (bacterio)chlorophyll photosynthesizers and their uses YEDA RESEARCH AND DEVELOPMENT COMPANY LTD. (IL) 2018-05-01 US disclosed
WO-2017196806-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-11-16 WO disclosed
WO-2017116994-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. (US) 2017-07-06 WO disclosed
US-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF RF THERAPEUTICS INC. (CA) 2014-03-06 US disclosed
US-20110229384-A1 CONCENTRATE QUALITY IN THE ENRICHMENT OF UG-2 PLATINUM ORE BASF SE (DE) 2011-09-22 US disclosed
US-20100204508-A1 DENDRITIC COMPOUND AND USE THEREOF INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-08-12 US disclosed
US-20090148384-A1 FUNCTIONALIZED, SOLID POLYMER NANOPARTICLES COMPRISING EPOTHILONES BAYER SCHERING PHARMA AG (DE) 2009-06-11 US disclosed
US-20090148384-A1 FUNCTIONALIZED, SOLID POLYMER NANOPARTICLES COMPRISING EPOTHILONES BAYER SCHERING PHARMA AG (DE) 2009-06-11 US disclosed
US-7445767-B2 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2008-11-04 US disclosed
US-7445767-B2 In-vivo diagnostic method by near infrared radiation INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITAT BERLIN (DE) 2008-11-04 US disclosed
US-7288144-B2 Non-aqueous ink-jet ink composition RISO KAGAKU CORPORATION (JP) 2007-10-30 US disclosed
EP-1509254-A1 NEW AGENTS FOR MAGNETIC IMAGING METHOD Bracco Imaging S.p.A. (IT) 2005-03-02 EP disclosed
WO-2003103722-A1 NEW AGENTS FOR MAGNETIC IMAGING METHOD BRACCO IMAGING S.P.A. (IT) 2003-12-18 WO disclosed
US-20020049190-A1 Pharmaceutical compositions comprising metal complexes ANORMED INC. (CA) 2002-04-25 US disclosed
EP-1163247-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056743-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING METAL COMPLEXES ANORMED INC. (CA) 2000-09-28 WO 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-20190084931-A1 CHEMICAL CONJUGATES OF EVANS BLUE DERIVATIVES AND THEIR USE AS RADIOTHERAPY AND IMAGING AGENTS H1-4, VIP, H1-3 TDP1 3854/4885ALOX15 3157/4885BLM 3495/4885
US-10689415-B2 Conjugates of RGD peptides and (bacterio)chlorophyll photosensitizers MVD, AGER, FOLH1 TDP1 1667/4885ALOX15 1323/4885BLM 1201/4885
US-20090148384-A1 FUNCTIONALIZED, SOLID POLYMER NANOPARTICLES COMPRISING EPOTHILONES EPOR, SELPLG, SELP TDP1 4818/4885ALOX15 1843/4885BLM 4880/4885
US-20020049190-A1 Pharmaceutical compositions comprising metal complexes CFD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, F12 TDP1 3584/4885ALOX15 1531/4885BLM 2507/4885
US-20140065075-A1 TARGETED CONTRAST AGENTS AND USES THEREOF ANTXR2, CALCOCO2, PAICS TDP1 4496/4885ALOX15 1393/4885BLM 4381/4885
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE NUCB2, RNPEP, MME TDP1 3438/4885ALOX15 2483/4885BLM 4633/4885
US-10696631-B2 Chemical conjugates of evans blue derivatives and their use as radiotherapy and imaging agents H1-4, VIP, H1-3 TDP1 3854/4885ALOX15 3157/4885BLM 3495/4885
US-20100204508-A1 DENDRITIC COMPOUND AND USE THEREOF CXCL10, PDCD1LG2, PDCD5 TDP1 4722/4885ALOX15 2192/4885BLM 3817/4885

“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.