SCHEMBL13936680

SCHEMBL13936680

CC(C)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
EYA2 O00167 1/20 0.50
APP P05067 1/20 0.50
ACE P12821 1/20 0.50
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 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

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
SCHEMBL3658107 0.95 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL10283828 0.88 TDP1 (0.44) TDP1EYA2APPACEBLM
SCHEMBL18100444 0.88 TDP1 (0.61) TDP1EYA2APPACEBLM
SCHEMBL18292047 0.88 TDP1 (0.64) TDP1EYA2APPACEBLM
Trifluoroacetic Acid SCHEMBL5502459 0.87 TDP1 (0.39) TDP1EYA2APPACEBLM
SCHEMBL24176993 0.86 TDP1 (0.65) TDP1EYA2APPACEBLM
SCHEMBL10283576 0.84 TDP1 (0.46) TDP1EYA2APPACEBLM
SCHEMBL9338981 0.84 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL10170332 0.83 TDP1 (0.39) TDP1EYA2APPACEBLM
Hydrochloric Acid SCHEMBL9340884 0.82 TDP1 (0.48) TDP1EYA2APPACEBLM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING THE ASAN FOUNDATION (KR) 2023-05-11 US disclosed
US-10758634-B2 Compounds, compositions and associated methods using zirconium-89 in immuno-positron emission tomography WAKE FOREST UNIVERSITY (US) 2020-09-01 US disclosed
US-20190038785-A1 COMPOUNDS, COMPOSITIONS AND ASSOCIATED METHODS USING ZIRCONIUM-89 IN IMMUNO-POSITRON EMISSION TOMOGRAPHY WAKE FOREST UNIVERSITY 2019-02-07 US disclosed
US-20130251788-A1 Method of Inducing a Phase Transition of a Bilayer Membrane Vesicle JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-09-26 US disclosed
US-8449979-B2 Molecular aggregate capable of undergoing phase transition by dehydrating condensation and method of phase transition thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-05-28 US disclosed
US-20090023003-A1 Molecular Aggregate Capable of Undergoing Phase Transition by Dehydrating Condensation and Method of Phase Transition Thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-01-22 US 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 (4 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-10758634-B2 Compounds, compositions and associated methods using zirconium-89 in immuno-positron emission tomography PAICS, IKZF2, ZRANB2 TDP1 1238/4885EYA2 4164/4885APP 3902/4885
US-20230142546-A1 RADIOPHARMACEUTICALS AND COMPOSITION FOR THROMBUS IMAGING SERPINC1, F3, F11 TDP1 830/4885EYA2 4879/4885APP 2797/4885
US-20190038785-A1 COMPOUNDS, COMPOSITIONS AND ASSOCIATED METHODS USING ZIRCONIUM-89 IN IMMUNO-POSITRON EMISSION TOMOGRAPHY PAICS, IKZF2, ZRANB2 TDP1 1238/4885EYA2 4164/4885APP 3902/4885
US-20130251788-A1 Method of Inducing a Phase Transition of a Bilayer Membrane Vesicle VAPB, VAPA, NSF TDP1 2116/4885EYA2 4008/4885APP 2794/4885

“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.