SCHEMBL18911939

SCHEMBL18911939

CCCOCCN(C)CCCN=C=S

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
BACH1 O14867 2/20 0.43
MAFK O60675 2/20 0.43
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TRPA1 O75762 7/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MIF P14174 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
EGFR P00533 1/20 0.33
PTGS2 P35354 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GSK3B P49841 1/20 0.32
SLC6A4 P31645 1/20 0.31

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
SCHEMBL18912046 0.90 NAAA (0.38) NAAABACH1MAFKMAOAMAOB
SCHEMBL18911934 0.83 NAAA (0.44) NAAABACH1MAFKMAOAMAOB
SCHEMBL11729195 0.77 NAAA (0.63) NAAABACH1MAFKTRPA1MIF
SCHEMBL18911845 0.77 MIF (0.52) NAAABACH1MAFKMAOAMAOB
SCHEMBL18937400 0.76 NAAA (0.50) NAAABACH1MAFKMAOAMAOB
SCHEMBL4633781 0.75 LMNA (0.37) ALDH1A1LMNATP53SLC6A4
SCHEMBL21771189 0.74 SLC6A4 (0.39) ALDH1A1LMNASLC6A4
SCHEMBL21771187 0.74 SLC6A4 (0.39) ALDH1A1LMNASLC6A4
SCHEMBL12865461 0.73 LMNA (0.40) ALDH1A1LMNASLC6A4
SCHEMBL12865465 0.73 LMNA (0.40) ALDH1A1LMNASLC6A4

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-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE THE PROCTER & GAMBLE COMPANY 2017-06-01 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-20170152222-A1 COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE CRAT, CPT1A, CPT1B NAAA 63/4885BACH1 1293/4885MAFK 379/4885

“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.