SCHEMBL410464

SCHEMBL410464

O=C(O)CN1CCN(CCO)CCN(CC(=O)O)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.46
HSD11B1 P28845 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 2/20 0.40
SLC6A9 P48067 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2733029 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL1270440 1.00 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
Hydrochloric Acid SCHEMBL12465553 0.98 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL23568185 0.94 ALDH1A1 (0.46) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL18371474 0.92 ALDH1A1 (0.45) ALDH1A1HSD17B10KDM4ETSHRKMT2A
SCHEMBL22779188 0.90 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL23476610 0.90 KDM4E (0.47) ALDH1A1HSD17B10KDM4EHSD11B1TSHR
SCHEMBL23646017 0.87 HSD17B10 (0.62) ALDH1A1HSD17B10KDM4ETSHRSLC6A9
SCHEMBL8742080 0.87 HSD17B10 (0.62) ALDH1A1HSD17B10KDM4ETSHRSLC6A9
SCHEMBL17029294 0.87 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EHSD11B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2014-12-25 US claimed
US-8758726-B2 Methods and compositions for improved F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2014-06-24 US claimed
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2014-01-16 US claimed
US-8545809-B2 Methods and compositions for improved 18F labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2013-10-01 US claimed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 US claimed
EP-2651411-B1 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS INC (US) 2020-09-16 EP disclosed
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2019-01-29 US disclosed
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2017-10-05 US disclosed
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. 2017-10-05 US disclosed
WO-2017007807-A1 IMPROVED METHODS OF IMAGING WITH Ga-68 LABELED MOLECULES IMMUNOMEDICS, INC. (US) 2017-01-12 WO disclosed
US-20170007727-A1 METHODS OF IMAGING WITH Ga-68 LABELED MOLECULES IMMUNOMEDICS, INC. 2017-01-12 US disclosed
US-20170007727-A1 METHODS OF IMAGING WITH Ga-68 LABELED MOLECULES IMMUNOMEDICS, INC. 2017-01-12 US disclosed
WO-2012082618-A2 METHODS AND COMPOSITIONS FOR IMPROVED F-18 LABELING OF PROTEINS, PEPTIDES AND OTHER MOLECULES IMMUNOMEDICS, INC. (US) 2012-06-21 WO disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 US disclosed
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2012-05-31 US disclosed
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-12-23 US disclosed
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-12-23 US disclosed
WO-2010011367-A2 BIMODAL LIGANDS WITH MACROCYCLIC AND ACYCLIC BINDING MOIETIES, COMPLEXES AND COMPOSITIONS THEREOF, AND METHODS OF USING ILLINOIS INSTITUTE OF TECHNOLOGY (US) 2010-01-28 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 (9 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-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 ALDH1A1 3513/4885HSD17B10 915/4885KDM4E 4795/4885
US-20120134920-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS ALDH1A1 4559/4885HSD17B10 4778/4885KDM4E 4014/4885
US-20170007727-A1 METHODS OF IMAGING WITH Ga-68 LABELED MOLECULES BSG, HBG1, HBG2 ALDH1A1 4579/4885HSD17B10 4070/4885KDM4E 4824/4885
US-10189803-B2 Synthesis of therapeutic and diagnostic drugs centered on regioselective and stereoselective ring opening of aziridinium ions AZI2, ABL1, DHPS ALDH1A1 1847/4885HSD17B10 2457/4885KDM4E 3648/4885
US-20140017168-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS ALDH1A1 4559/4885HSD17B10 4778/4885KDM4E 4014/4885
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR ALDH1A1 1885/4885HSD17B10 1388/4885KDM4E 4207/4885
US-20100322855-A1 Bimodal ligands with macrocyclic and acyclic binding moieties, complexes and compositions thereof, and methods of using UACA, CLTC, PKD1 ALDH1A1 3456/4885HSD17B10 2807/4885KDM4E 4732/4885
US-20140377177-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, FCGRT, PAICS ALDH1A1 4559/4885HSD17B10 4778/4885KDM4E 4014/4885
US-20170283442-A1 Methods and Compositions for Improved F-18 Labeling of Proteins, Peptides and Other Molecules F13B, PAICS, MRPL19 ALDH1A1 4430/4885HSD17B10 4694/4885KDM4E 4360/4885

“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.