Guaiacol

Guaiacol

SCHEMBL4095961

CC(C)CCC(=O)O.COc1ccccc1O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
TP53 P04637 2/20 0.56
LMNA P02545 2/20 0.51
POLB P06746 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NFKB1 P19838 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
Guaiacol SCHEMBL3361883 0.87 CA1 (0.69) TSHRCA1CA2TP53LMNA
Guaiacol SCHEMBL4084658 0.84 TSHR (0.60) TSHRCA1CA2TP53LMNA
Guaiacol SCHEMBL1824093 0.82 TSHR (0.62) TSHRCA1CA2TP53LMNA
Guaiacol SCHEMBL28236867 0.82 TSHR (0.53) TSHRCA1CA2TP53LMNA
Guaiacol SCHEMBL28956723 0.81 CA1 (0.60) TSHRCA1CA2TP53LMNA
SCHEMBL4085617 0.81 TSHR (0.50) TSHRPOLBKMT2AGAAALDH1A1
Guaiacol SCHEMBL4089861 0.80 CA1 (0.69) TSHRCA1CA2TP53LMNA
Guaiacol SCHEMBL17237525 0.80 CA1 (0.69) TSHRCA1CA2TP53LMNA
Guaiacol SCHEMBL4085621 0.79 TSHR (0.58) TSHRCA1CA2TP53LMNA
Guaiacol SCHEMBL21542 0.79 CA1 (0.82) TSHRCA1CA2TP53LMNA

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
EP-2237683-B1 METHOD OF FLAVORING GIVAUDAN SA (CH) 2015-11-11 EP disclosed
US-20130177688-A1 Method of Flavoring GIVAUDAN S.A. (CH) 2013-07-11 US disclosed
US-20090186138-A1 Method of Flavoring GIVAUDAN SA (CH) 2009-07-23 US 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-20090186138-A1 Method of Flavoring TAS2R5, TAS2R50, TAS2R10 TSHR 4345/4885CA1 1848/4885CA2 1000/4885

“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.