Sugi Predict

Sugi Predict / Compounds / Chavicol

Chavicol

Chavicol

SCHEMBL3487733

C=CCc1ccc(O)cc1.C=CCc1ccccc1O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.56
▸ GABRA1 P14867 5/20 0.47
▸ GABRB2 P47870 5/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ CNR1 P21554 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ ALOX5 P09917 2/20 0.47
▸ GABRB1 P18505 1/20 0.47
▸ RXRA P19793 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ GABRA2 P47869 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ SIRT3 Q9NTG7 1/20 0.47
▸ XDH P47989 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46

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
2-Allylphenol SCHEMBL11497414 0.89 GABRA1 (0.48) KEAP1GABRA1GABRB2MEN1MAPT
2-Allylphenol SCHEMBL25436843 0.88 KEAP1 (0.51) KEAP1GABRA1GABRB2MEN1MAPT
2-Allylphenol SCHEMBL3810253 0.87 GABRA1 (0.50) KEAP1GABRA1GABRB2MEN1MAPT
2-Allylphenol SCHEMBL11838946 0.87 GABRA1 (0.50) KEAP1GABRA1GABRB2MEN1MAPT
2-Allylphenol SCHEMBL5489147 0.87 GABRA1 (0.57) GABRA1GABRB2MEN1MAPTKMT2A
2-Allylphenol SCHEMBL29381085 0.87 GABRA1 (0.57) GABRA1GABRB2MEN1MAPTKMT2A
2-Allylphenol SCHEMBL160157 0.87 GABRA1 (0.57) GABRA1GABRB2MEN1MAPTKMT2A
2-Allylphenol SCHEMBL31591833 0.87 GABRA1 (0.57) GABRA1GABRB2MEN1MAPTKMT2A
2-Allylphenol SCHEMBL11595803 0.85 GABRA1 (0.48) KEAP1GABRA1GABRB2MEN1MAPT
2-Allylphenol SCHEMBL3877760 0.85 GABRA1 (0.55) GABRA1GABRB2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9131648-B2 Genes encoding chavicol/eugenol synthase from the creosote bush Larrea tridentata WASHINGTON STATE UNIVERSITY (US) 2015-09-15 — — US disclosed
EP-2670782-A1 FUNCTIONALISED NITRILE RUBBERS AND THE PRODUCTION THEREOF LANXESS Deutschland GmbH (DE) 2013-12-11 — — EP disclosed
WO-2012104183-A1 FUNCTIONALISED NITRILE RUBBERS AND THE PRODUCTION THEREOF LANXESS DEUTSCHLAND GMBH (DE) 2012-08-09 — — WO disclosed
US-20100031398-A1 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA WASHINGTON STATE UNIVERSITY (US) 2010-02-04 — — US disclosed
EP-2046110-A2 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA Washington State University (US) 2009-04-15 — — EP disclosed
WO-2008005631-A2 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA WASHINGTON STATE UNIVERSITY (US) 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-20100031398-A1 GENES ENCODING CHAVICOL/EUGENOL SYNTHASE FROM THE CREOSOTE BUSH LARREA TRIDENTATA CNOT1, CRAT, LRAT KEAP1 533/4885GABRA1 2647/4885GABRB2 2168/4885

“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.