SCHEMBL12358653

SCHEMBL12358653

COC(=O)CCN(CCC(=O)OC)CCN(CCN(CCC(=O)OC)CCC(=O)OC)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CALM1 P0DP23 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MEP1B Q16820 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL3258895 0.97 TDP1 (0.54) TDP1KDM4EALDH1A1LMNACALM1
SCHEMBL5175327 0.93 TDP1 (0.54) TDP1KDM4EALDH1A1LMNACALM1
SCHEMBL31301729 0.91 HDAC3 (0.52) TDP1KDM4EALDH1A1LMNACALM1
SCHEMBL25473056 0.87 HDAC3 (0.55) TDP1KDM4EALDH1A1LMNACALM1
SCHEMBL15781669 0.87 MEP1B (0.48) TDP1KDM4EALDH1A1LMNACALM1
SCHEMBL12222074 0.86 HDAC3 (0.43) TDP1KDM4EALDH1A1LMNACALM1
SCHEMBL18912788 0.86 MEP1B (0.48) TDP1KDM4EALDH1A1LMNACALM1
SCHEMBL22838351 0.85 CA12 (0.54) TDP1KDM4EALDH1A1LMNAHDAC1
SCHEMBL16730590 0.84 HDAC1 (0.62) TDP1KDM4EALDH1A1LMNAHDAC3
SCHEMBL25203501 0.84 HDAC1 (0.62) TDP1KDM4EALDH1A1LMNAHDAC3

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-8540966-B2 Contrast agents endowed with high relaxivity BRACCO IMAGING S.P.A. (IT) 2013-09-24 US disclosed
US-20110256067-A1 Contrast agents endowed with high relaxivity BRACCO IMAGING SPA (IT) 2011-10-20 US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
US-7988950-B2 Contrast agents endowed with high relaxivity for use in magnetic resonance imaging (MRI) which contain a chelating moiety with polyhydroxylated substituents BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 US disclosed
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents BRACCO IMAGING SPA (IT) 2007-11-08 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 (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-20110256067-A1 Contrast agents endowed with high relaxivity SLC40A1, SLC67A1, SLC19A1 TDP1 1664/4885KDM4E 4124/4885ALDH1A1 2186/4885
US-20070258905-A1 Contrast Agents Endowed with High Relaxivity for Use in Magnetic Resonance Imaging (Mri) Which Contain a Chelating Moiety with Polyhydroxylated Substituents RXFP1, SLC5A7, SLC40A1 TDP1 1659/4885KDM4E 1785/4885ALDH1A1 2843/4885

“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.