SCHEMBL5109192

SCHEMBL5109192

CCCc1ccsc1CO

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.34
ALDH1A1 P00352 1/20 0.34
PRKCI P41743 1/20 0.31
KEAP1 Q14145 1/20 0.31
HSD17B3 P37058 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL2223496 0.85 LIPG (0.43) LTB4RALOX5
SCHEMBL6647850 0.85 LTB4R (0.37) LTB4RALDH1A1KEAP1
SCHEMBL5109988 0.83 LTB4R (0.34) LTB4RALDH1A1KEAP1
SCHEMBL12462034 0.83 LTB4R (0.33) LTB4RKEAP1
SCHEMBL5104199 0.83
SCHEMBL2690986 0.80
SCHEMBL6327953 0.79 LTB4R (0.31) LTB4RKEAP1
SCHEMBL4743163 0.79 HTR2A (0.46) LTB4R
SCHEMBL25052908 0.78 LTB4R (0.33) LTB4R
Carbamic Acid SCHEMBL27276269 0.77 LTB4R (0.43) LTB4RALDH1A1PRKCIALOX5

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-7342116-B2 Process for producing heterocyclic aldehyde KOEI CHEMICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound KOEI CHEMICAL CO., LTD. (JP) 2005-06-09 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-20050124807-A1 oxidation of a hetero alcohol in presence od an 2,2,6,6-teraalkylpiperidin-1-oxy comound ADH1C, ADH1A, AOX1 LTB4R 1488/4885ALDH1A1 24/4885PRKCI 3935/4885

“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.