Guaiacol

Guaiacol

SCHEMBL4092047

CCCC(=O)OCC.COc1ccccc1O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.56
▸ CA2 P00918 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HSD17B2 P37059 1/20 0.48
▸ MAOB P27338 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ PLIN1 O60240 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PLIN5 Q00G26 1/20 0.46
▸ ABHD5 Q8WTS1 1/20 0.46
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ CA12 O43570 2/20 0.45
▸ CA7 P43166 2/20 0.45
▸ CA14 Q9ULX7 2/20 0.45
▸ CA9 Q16790 1/20 0.45

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 SCHEMBL27644634 0.82 TSHR (0.62) CA1CA2TP53TSHRHSD17B2
Guaiacol SCHEMBL1824093 0.82 TSHR (0.62) CA1CA2TP53TSHRKMT2A
Guaiacol SCHEMBL28280070 0.82 CA1 (0.53) CA1CA2TP53TSHRHSD17B2
Guaiacol SCHEMBL27728369 0.79 CA1 (0.58) CA1CA2TP53TSHRHSD17B2
Guaiacol SCHEMBL811953 0.79 TP53 (0.82) CA1CA2TP53TSHRMAOB
SCHEMBL6035844 0.79 ALDH1A1 (0.47) CA1CA2TP53HSD17B2MAOB
Anisole SCHEMBL28262494 0.79 SMN1; SMN2 (0.50) TSHRMAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL2292823 0.78 KMT2A (0.53) CA1CA2TP53TSHRKMT2A
Phenol SCHEMBL27841259 0.78 SMN1; SMN2 (0.53) CA1CA2KMT2APOLBMEN1
SCHEMBL3268399 0.78 JAK2 (0.53) LMNAMAPTCYP4F2CYP4A11L3MBTL1

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 CA1 1848/4885CA2 1000/4885TP53 4628/4885

“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.

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