SCHEMBL25616618

SCHEMBL25616618

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.46
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC3 O15379 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
FFAR3 O14843 3/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL982455 0.84 CES2 (0.50) CES2CES1HDAC1HDAC2HDAC3
SCHEMBL25616610 0.82 CA1 (0.36) CA1TSHRALDH1A1
SCHEMBL109486 0.75 CA1 (0.50) CA1CES2CES1HDAC1HDAC2
SCHEMBL104197 0.75 CES2 (0.63) CA1CES2CES1HDAC1HDAC2
SCHEMBL107350 0.74 CA1 (0.44) CA1HDAC1HDAC2HDAC8TSHR
SCHEMBL110974 0.74 CA1 (0.39) CA1CES2CES1HDAC1HDAC2
SCHEMBL800723 0.74 CA1 (0.55) CA1ALDH1A1TRPA1TDP1
SCHEMBL28377127 0.73 CES2 (0.58) CES2CES1TSHRALDH1A1
SCHEMBL108022 0.73 CA1 (0.48) CA1TRPA1
Butyric Acid SCHEMBL10947590 0.73 FFAR3 (0.65) CA1HDAC1HDAC2HDAC3HDAC8

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.