SCHEMBL4362844

SCHEMBL4362844

CCCCCCCCC=CCCCCCCCCNC(=S)Nc1ccc(CCC(C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)Cc3cccc(n3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.38
ALB P02768 1/20 0.38
EPHX2 P34913 2/20 0.36
S1PR1 P21453 1/20 0.36
KMT2A Q03164 4/20 0.34
RAD52 P43351 1/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SIRT2 Q8IXJ6 5/20 0.33
SIRT1 Q96EB6 3/20 0.33
SIRT3 Q9NTG7 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL15389549 0.86 SOAT2 (0.46) ALBEPHX2S1PR1KMT2AMEN1
SCHEMBL15389537 0.86 SOAT2 (0.46) ALBEPHX2S1PR1KMT2AMEN1
SCHEMBL4364577 0.74 ALB (0.42) FOLH1ALBS1PR1KMT2ALMNA
SCHEMBL15389544 0.73 SOAT2 (0.43) EPHX2KMT2AMEN1ALDH1A1MAPT
SCHEMBL4361540 0.72 KCNJ1 (0.40) ALBLMNAALDH1A1MAPTKDM4E
SCHEMBL4368905 0.71 ALB (0.40) ALBS1PR1KMT2ALMNAMEN1
SCHEMBL17922626 0.70 ALB (0.44) ALBS1PR1KMT2AMEN1ALDH1A1
SCHEMBL17922703 0.70 ALB (0.45) FOLH1ALBS1PR1KMT2AMEN1
SCHEMBL26459809 0.69 ALB (0.43) FOLH1ALBS1PR1KMT2AMEN1
SCHEMBL4360231 0.68 KCNJ1 (0.41) ALBLMNAALDH1A1MAPTKDM4E

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 FOLH1 186/4885ALB 1926/4885EPHX2 2431/4885

“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.