SCHEMBL12372587

SCHEMBL12372587

CC(N)CC(O)C(O)C(O)C(O)CO

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
USP2 O75604 1/20 0.46
SLCO1B1 Q9Y6L6 1/20 0.46
KDM4E B2RXH2 2/20 0.44
PDE4A P27815 1/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TOP1 P11387 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPA1 O75762 1/20 0.32

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
SCHEMBL14147723 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL15895211 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL18994197 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL16745479 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL16442166 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL23250849 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL887993 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL16745470 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL16745469 0.79 LMNA (0.61) LMNAL3MBTL1TDP1USP2SLCO1B1
SCHEMBL28709184 0.79 ALDH1A1 (0.43) TSHRALDH1A1MAPK1TRPV1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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 LMNA 3144/4885L3MBTL1 2173/4885TDP1 1659/4885

“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.