SCHEMBL3244027

SCHEMBL3244027

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
TSHR P16473 3/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL3244029 1.00 ALDH1A1 (0.57) ALDH1A1TSHRCA2CA1ALOX15
SCHEMBL31053838 1.00 ALDH1A1 (0.57) ALDH1A1TSHRCA2CA1ALOX15
SCHEMBL3244031 1.00 ALDH1A1 (0.57) ALDH1A1TSHRCA2CA1ALOX15
SCHEMBL19896423 0.94 ALDH1A1 (0.55) ALDH1A1TSHRCA1ALOX15LMNA
SCHEMBL28425931 0.93 ALDH1A1 (0.53) ALDH1A1TSHRFAAH
SCHEMBL19896365 0.93 ALDH1A1 (0.53) ALDH1A1TSHRFAAH
SCHEMBL112254 0.88 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL5026818 0.88 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
SCHEMBL5026819 0.88 ALDH1A1 (0.50) ALDH1A1TSHRALOX15LMNAHSD17B10
Methane SCHEMBL28237192 0.86 ALDH1A1 (0.48) ALDH1A1TSHRALOX15LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130295229-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA (CH) 2013-11-07 US claimed
US-20100303988-A1 THIOLS AS FLAVORING INGREDIENT FIRMENICH SA 2010-12-02 US claimed
EP-1882027-B1 THIOLS AS FLAVORING INGREDIENT FIRMENICH & CIE (CH) 2010-07-21 EP claimed
US-10993464-B2 Thiols as flavoring ingredient FIRMENICH SA (CH) 2021-05-04 US 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
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 213/4885TSHR 2728/4885CA2 3347/4885
US-20180055077-A1 THIOLS AS FLAVORING INGREDIENT TAS1R3, TMT1A, TST ALDH1A1 213/4885TSHR 2728/4885CA2 3347/4885

“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.