SCHEMBL15933413

SCHEMBL15933413

CC(=O)CCCCC(C)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 5/20 0.44
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 2/20 0.41
CA1 P00915 2/20 0.40
ACHE P22303 1/20 0.39
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35
CYP1A2 P05177 1/20 0.34
BLM P54132 1/20 0.34
FAAH O00519 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
SCHEMBL11884635 0.98 PAOX (0.48) PAOXLTA4HALDH1A1CA1ACHE
SCHEMBL9547901 0.93 ALDH1A1 (0.43) PAOXLTA4HALDH1A1CA1ACHE
SCHEMBL13776504 0.92 LTA4H (0.39) PAOXLTA4HALDH1A1CA1ACHE
SCHEMBL12153331 0.87 CA1 (0.48) LTA4HALDH1A1CA1TDP1CYP1A2
SCHEMBL12153332 0.85 CA1 (0.46) LTA4HCA1FFAR4FFAR1BLM
SCHEMBL999059 0.84 FFAR4 (0.53) LTA4HALDH1A1FFAR4FFAR1TDP1
SCHEMBL17953993 0.82 ALDH1A1 (0.47) PAOXALDH1A1CA1ACHETDP1
SCHEMBL10188903 0.82 ALDH1A1 (0.47) PAOXALDH1A1CA1ACHETDP1
SCHEMBL13293157 0.82 ALDH1A1 (0.47) PAOXALDH1A1CA1ACHETDP1
SCHEMBL14093813 0.82 FFAR4 (0.57) ALDH1A1FFAR4FFAR1TDP1LMNA

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-20160206680-A1 ANTI-TRYPANOSOME COMPOUNDS AND TREATMENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-21 US disclosed
US-20140221276-A1 FURTHER NOVEL ANTI-PARASITIC COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-07 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-20160206680-A1 ANTI-TRYPANOSOME COMPOUNDS AND TREATMENTS PDF, TUFM, TRAP1 PAOX 307/4885LTA4H 179/4885ALDH1A1 4842/4885
US-20140221276-A1 FURTHER NOVEL ANTI-PARASITIC COMPOUNDS PTMS, LRBA, PDF PAOX 260/4885LTA4H 25/4885ALDH1A1 4718/4885

“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.