SCHEMBL5159002

SCHEMBL5159002

CCCCC(O)CCOC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.43
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
NFKB1 P19838 1/20 0.39
GPR84 Q9NQS5 5/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.35
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34

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
SCHEMBL5162531 1.00 FDPS (0.43) FDPSFFAR4FFAR1NFKB1GPR84
SCHEMBL5158990 1.00 FDPS (0.43) FDPSFFAR4FFAR1NFKB1GPR84
SCHEMBL19114562 0.91 FFAR4 (0.52) FDPSFFAR4FFAR1NFKB1GPR84
SCHEMBL9629393 0.91 FDPS (0.43) FDPSFFAR4FFAR1NFKB1GPR84
SCHEMBL9629607 0.86 FFAR4 (0.47) FDPSFFAR4FFAR1NFKB1GPR84
SCHEMBL17233052 0.85
SCHEMBL13122621 0.84 MAPT (0.31)
SCHEMBL1521343 0.83
SCHEMBL8459834 0.82 FFAR4 (0.52) FDPSFFAR4FFAR1NFKB1GPR84
SCHEMBL18885426 0.82 FFAR4 (0.52) FDPSFFAR4FFAR1NFKB1GPR84

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249446-B1 Use of thio derivates as flavoring ingredients FIRMENICH & CIE (CH) 2007-03-07 EP disclosed
US-7008919-B2 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2006-03-07 US disclosed
US-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients FIRMENICH SA (CH) 2003-02-27 US disclosed
EP-1249446-A2 Use of thio derivates as perfuming and flavoring ingredients FIRMENICH SA (CH) 2002-10-16 EP 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-20030040460-A1 Use of thio derivatives as perfuming and flavoring ingredients TAS2R1, TAS2R4, TAS1R1 FDPS 576/4885FFAR4 1019/4885FFAR1 998/4885

“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.