SCHEMBL13154532

SCHEMBL13154532

CCCOCCOCCOCCNC(=O)COCC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ GLP1R P43220 8/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NCF1 P14598 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NAMPT P43490 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
SCHEMBL253658 0.98 CES2 (0.43) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL12807256 0.97 CES2 (0.46) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL15259279 0.97 CES2 (0.46) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL13226771 0.97 CES2 (0.46) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL16350546 0.92 CES2 (0.50) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL23937750 0.90 MEN1 (0.39) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL11928874 0.90 ALDH1A1 (0.41) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL12733551 0.90 ALDH1A1 (0.41) CES2MEN1KMT2AEPHX2FAAH
SCHEMBL13007897 0.88 MEN1 (0.40) CES2MEN1KMT2AFAAHTSHR
SCHEMBL12353672 0.88 MEN1 (0.40) CES2MEN1KMT2AFAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233082-A1 68GA-Labeled Peptide-Based Radiopharmaceuticals GE HEALTHCARE LIMITED (GB) 2010-09-16 — — 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-20100233082-A1 68GA-Labeled Peptide-Based Radiopharmaceuticals ITGAV, ITGB3, GRPR CES2 4590/4885MEN1 716/4885KMT2A 3953/4885

“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.

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