SCHEMBL1326008

SCHEMBL1326008

CCCC1CCOC(C)S1.CCOC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Triethyl Citrate SCHEMBL1326007 0.88 CYP2D6 (0.30)
SCHEMBL72953 0.74 ALDH1A1 (0.60) ALDH1A1
SCHEMBL30384961 0.74 ALDH1A1 (0.60) ALDH1A1
Citric Acid SCHEMBL4292973 0.74 ALDH1A1 (0.60) ALDH1A1
Ammonia Solution, Strong SCHEMBL29179739 0.72 ALDH1A1 (0.58) ALDH1A1
SCHEMBL433131 0.72 ALDH1A1 (0.58) ALDH1A1
SCHEMBL27981114 0.72 ALDH1A1 (0.58) ALDH1A1
SCHEMBL16737228 0.72 ALDH1A1 (0.58) ALDH1A1
Water SCHEMBL28164707 0.72 ALDH1A1 (0.58) ALDH1A1
Ammonia Solution, Strong SCHEMBL9150405 0.72 ALDH1A1 (0.58) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053466-B2 Oxathiane derivative as perfuming ingredient FIRMENICH SA (CH) 2011-11-08 US disclosed
EP-2041109-B1 OXATHIANE DERIVATIVE AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2010-12-29 EP disclosed
US-20090285769-A1 OXATHIANE DERIVATIVE AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2009-11-19 US disclosed
EP-2041109-A2 OXATHIANE DERIVATIVE AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2009-04-01 EP disclosed
WO-2008004145-A2 OXATHIANE DERIVATIVE AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2008-01-10 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 (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-20090285769-A1 OXATHIANE DERIVATIVE AS PERFUMING INGREDIENT PTGIS, PFAS, HPD ALDH1A1 582/4885

“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.