SCHEMBL25616619

SCHEMBL25616619

CCCC(=O)CC(=O)CCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC8 Q9BY41 5/20 0.37
HDAC3 O15379 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC2 Q92769 4/20 0.37
HDAC6 Q9UBN7 2/20 0.37
FFAR3 O14843 3/20 0.36
CTSD P07339 1/20 0.36
TSHR P16473 1/20 0.35
ALOX5 P09917 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL109486 0.90 CA1 (0.50) CA1CES2CES1HDAC8HDAC3
SCHEMBL11974541 0.90 CA1 (0.55) CA1ALOX5NFKB1NFKB2RELA
SCHEMBL5872275 0.87 CA1 (0.52) CA1ALOX5NFKB1NFKB2RELA
SCHEMBL1701664 0.82 CES2 (0.53) CES2CES1HDAC8HDAC3HDAC1
SCHEMBL1948119 0.81 ALDH1A1 (0.40) CES2CES1HDAC8HDAC3HDAC1
SCHEMBL12722976 0.79 PHF8 (0.48) CA1ALOX5NFKB1NFKB2RELA
SCHEMBL8005447 0.79 CA1 (0.44) CA1CES2CES1HDAC8HDAC3
SCHEMBL28969956 0.79 CA2 (0.44) CA1CES2CES1HDAC8HDAC3
SCHEMBL11434918 0.79 CES2 (0.50) CES2CES1HDAC8HDAC3HDAC1
SCHEMBL3126473 0.79 CES2 (0.50) CES2CES1HDAC8HDAC3HDAC1

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-11723914-B2 Nitric oxide-releasing polyaminoglycosides as biodegradable antibacterial scaffolds and methods pertaining thereto THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2023-08-15 US disclosed
US-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-06-08 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 (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-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO NOS2, NOS3, NOS1 CA1 2631/4885CES2 381/4885CES1 2227/4885
US-11723914-B2 Nitric oxide-releasing polyaminoglycosides as biodegradable antibacterial scaffolds and methods pertaining thereto NOS2, NOS1, NOS3 CA1 2914/4885CES2 434/4885CES1 2403/4885

“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.