SCHEMBL4362890

SCHEMBL4362890

CCOC(=O)CN1CCN(C(=O)O)CCN(CC(=O)OCC)Cc2cccc(n2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.41
BACE1 P56817 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL9217160 0.85 LMNA (0.48) ALDH1A1KMT2AMEN1TSHR
SCHEMBL4364564 0.85 KDM4E (0.42) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL4364578 0.85 KDM4E (0.42) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL12342818 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL12342819 0.84 MEN1 (0.44) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL18911326 0.84 MEN1 (0.46) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL4359497 0.82 MEN1 (0.41) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL4359522 0.81 BACE1 (0.39) ALDH1A1MAPTKMT2AMEN1TSHR
SCHEMBL12342861 0.81 ALDH1A1 (0.38) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL16116269 0.79 KDM4E (0.48) ALDH1A1MAPTKDM4EKMT2ATSHR

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-8268810-B2 Lipophilic chelates and their use in imaging GUERBET (FR) 2012-09-18 US disclosed
US-20090214441-A1 Lipophilic Chelates and Their Use in Imaging GUERBET (FR) 2009-08-27 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-20090214441-A1 Lipophilic Chelates and Their Use in Imaging SLC40A1, TSPO, SLC47A2 ALDH1A1 2637/4885MAPT 1232/4885KDM4E 1946/4885

“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.