SCHEMBL6017977

SCHEMBL6017977

CCCCC(O)CCOCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.39
USP2 O75604 1/20 0.39
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.38
NFKB1 P19838 1/20 0.38
GPR84 Q9NQS5 5/20 0.37
FDPS P14324 1/20 0.37
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.33
LPAR5 Q9H1C0 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
SCHEMBL27600531 0.93 FFAR4 (0.47) FFAR4USP2FFAR1HTTNFKB1
SCHEMBL12754870 0.91 FFAR1 (0.50) FFAR4USP2FFAR1HTTNFKB1
SCHEMBL29011574 0.88 ALDH1A1 (0.48) USP2ALDH1A1HTTTSHRHSD17B10
SCHEMBL15007010 0.86 USP2 (0.44) FFAR4USP2FFAR1HTTNFKB1
SCHEMBL15007063 0.86 TSHR (0.50) FFAR4USP2FFAR1HTTNFKB1
SCHEMBL5164006 0.86 ALDH1A1 (0.42) USP2ALDH1A1HTTFDPSTSHR
SCHEMBL60499 0.83 USP2 (0.55) FFAR4USP2FFAR1HTTNFKB1
SCHEMBL3684759 0.83 USP2 (0.55) FFAR4USP2FFAR1HTTNFKB1
SCHEMBL2196101 0.82 FFAR1 (0.53) FFAR4USP2FFAR1HTTNFKB1
SCHEMBL11800054 0.82 FFAR1 (0.53) FFAR4USP2FFAR1HTTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FFAR4 1019/4885USP2 4324/4885FFAR1 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.