Dodecanoate

Dodecanoate

SCHEMBL6796551

CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCC[Sn+3].CCCC[Sn+3].CCCC[Sn+3]

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.62
CA1 P00915 1/20 0.60
CES2 O00748 4/20 0.56
CES1 P23141 4/20 0.56
NFKB1 P19838 1/20 0.50
GPR84 Q9NQS5 1/20 0.48

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
Myristic Acid SCHEMBL29384174 1.00 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Stearic Acid SCHEMBL8444190 1.00 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL677104 1.00 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Octanoic Acid SCHEMBL2571699 1.00 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Octanoic Acid SCHEMBL18420209 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL27724543 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Octanoic Acid SCHEMBL18420626 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL27639442 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL6212245 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1
Dodecanoate SCHEMBL27724769 0.96 FABP3 (0.62) FABP3CA1CES2CES1NFKB1

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-20040192747-A1 Substituted N-benzoyl-N'-(tetrazolylphenyl)-ureas and their use as pest control agents MAURER FRITZ (DE) 2004-09-30 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-20040192747-A1 Substituted N-benzoyl-N'-(tetrazolylphenyl)-ureas and their use as pest control agents UTS2R, UBXN1, USP1 FABP3 4010/4885CA1 2428/4885CES2 839/4885

“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.