Guaiacol

Guaiacol

SCHEMBL4084658

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

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 2/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
HTT P42858 3/20 0.50
HPGD P15428 2/20 0.50
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 2/20 0.47
GAA P10253 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
NFKB1 P19838 1/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 2/20 0.44

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 SCHEMBL4092053 0.86 TSHR (0.55) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL4095961 0.84 TSHR (0.56) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL4089861 0.82 CA1 (0.69) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL17237525 0.82 CA1 (0.69) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL3361883 0.82 CA1 (0.69) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL21542 0.82 CA1 (0.82) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL11482294 0.81 TSHR (0.67) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL3361723 0.81 CA1 (0.67) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL27707739 0.81 CA1 (0.67) TSHRTP53CA1CA2HTT
Guaiacol SCHEMBL27636740 0.81 TSHR (0.67) TSHRTP53CA1CA2HTT

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 4345/4885TP53 4628/4885CA1 1848/4885

“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.