SCHEMBL12946586

SCHEMBL12946586

O=C(CCCCCN1C(=O)C=CC1=O)NCCCCC(NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 3/20 0.72
▸ NAALAD2 Q9Y3Q0 9/20 0.52
▸ FTO Q9C0B1 5/20 0.43
▸ FOLH1 Q04609 2/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ NR1H2 P55055 1/20 0.39
▸ JAK2 O60674 1/20 0.39

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
SCHEMBL12946585 0.95 ALB (0.66) ALBNAALAD2FTOFOLH1MMP14
SCHEMBL13286293 0.84 ALB (1.00) ALBNAALAD2FTO
SCHEMBL12923085 0.83 ALB (0.51) ALBNAALAD2FTOMMP14NR1H2
SCHEMBL12946728 0.81 ALB (0.81) ALBNAALAD2FTOFOLH1
SCHEMBL12914871 0.80 ALB (0.67) ALBNAALAD2FTOMMP14
SCHEMBL14769921 0.79 ALB (0.65) ALBNAALAD2FTOFOLH1MMP14
SCHEMBL25660795 0.79 ALB (0.65) ALBNAALAD2FTOFOLH1
SCHEMBL12923086 0.78 ALB (0.46) ALBNAALAD2FTOMMP14NR1H2
SCHEMBL14295942 0.78 ALB (0.64) ALBNAALAD2FTOFOLH1MMP14
SCHEMBL917141 0.77 ALB (0.58) ALBNAALAD2FTOMMP14JAK2

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-20110014196-A1 Drug Transfer into Living Cells COVALYS BIOSCIENCES AG (CH) 2011-01-20 — — US disclosed
US-20110014216-A1 Drug Transfer Based on Coenzyme A and Acyl Carrier Protein COVALYS BIOSCIENCES AG (CH) 2011-01-20 — — 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-20110014196-A1 Drug Transfer into Living Cells TSPO, MPI, ABCB1 ALB 1457/4885NAALAD2 129/4885FTO 1922/4885
US-20110014216-A1 Drug Transfer Based on Coenzyme A and Acyl Carrier Protein COASY, ACAT2, ACAT1 ALB 672/4885NAALAD2 1101/4885FTO 1092/4885

“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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