SCHEMBL3250244

SCHEMBL3250244

CCCC[C@@H](O)CCOC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
NFKB1 P19838 1/20 0.43
TSHR P16473 1/20 0.42
GPR84 Q9NQS5 5/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3249672 1.00 ALDH1A1 (0.59) ALDH1A1FFAR4FFAR1NFKB1TSHR
SCHEMBL3250246 1.00 ALDH1A1 (0.59) ALDH1A1FFAR4FFAR1NFKB1TSHR
SCHEMBL3205432 0.94 ALDH1A1 (0.57) ALDH1A1FFAR4FFAR1NFKB1GPR84
SCHEMBL1171375 0.92 ALDH1A1 (0.55) ALDH1A1FFAR4FFAR1NFKB1GPR84
SCHEMBL25403724 0.92 ALDH1A1 (0.55) ALDH1A1FFAR4FFAR1NFKB1GPR84
SCHEMBL25401124 0.92 ALDH1A1 (0.55) ALDH1A1FFAR4FFAR1NFKB1GPR84
SCHEMBL25405148 0.92 ALDH1A1 (0.55) ALDH1A1FFAR4FFAR1NFKB1GPR84
SCHEMBL25401483 0.92 ALDH1A1 (0.55) ALDH1A1FFAR4FFAR1NFKB1GPR84
SCHEMBL25405754 0.92 ALDH1A1 (0.55) ALDH1A1FFAR4FFAR1NFKB1GPR84
SCHEMBL27291248 0.90 ALDH1A1 (0.63) ALDH1A1FFAR4FFAR1NFKB1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993464-B2 Thiols as flavoring ingredient FIRMENICH SA (CH) 2021-05-04 US disclosed
CN-103271321-B Thiols as flavoring ingredient 弗门尼舍有限公司 2018-04-20 CN disclosed
US-20180055077-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2018-03-01 US disclosed
US-20130295229-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2013-11-07 US disclosed
US-20100303988-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA 2010-12-02 US disclosed
EP-1882027-B1 THIOLS AS FLAVORING INGREDIENT FIRMENICH & CIE (CH) 2010-07-21 EP disclosed
CN-101171326-A Thiol flavoring components FIRMENICH & CIE (CH) 2008-04-30 CN disclosed
EP-1882027-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2008-01-30 EP disclosed
US-20080020116-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2008-01-24 US disclosed
WO-2006120625-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2006-11-16 WO 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-10993464-B2 Thiols as flavoring ingredient TAS1R3, TMT1A, TST ALDH1A1 213/4885FFAR4 4323/4885FFAR1 3982/4885
US-20180055077-A1 THIOLS AS FLAVORING INGREDIENT TAS1R3, TMT1A, TST ALDH1A1 213/4885FFAR4 4323/4885FFAR1 3982/4885

“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.