SCHEMBL3486261

SCHEMBL3486261

CC=Cc1cc(OC)c(O)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.70
CYP3A4 P08684 1/20 0.70
TYR P14679 1/20 0.55
NFE2L2 Q16236 1/20 0.47
SNCA P37840 2/20 0.45
MAOB P27338 2/20 0.43
CISD1 Q9NZ45 1/20 0.43
ALOX5 P09917 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
DPP4 P27487 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
CYP1A2 P05177 1/20 0.42
APP P05067 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL68530 0.88 TYR (0.55) HMGCRCYP3A4TYRNFE2L2MAOB
SCHEMBL68531 0.88 TYR (0.55) HMGCRCYP3A4TYRNFE2L2MAOB
SCHEMBL14798025 0.85 CYP3A4 (0.51) HMGCRCYP3A4TYRNFE2L2SNCA
SCHEMBL28763191 0.85 HMGCR (0.55) HMGCRCYP3A4TYRNFE2L2MAOB
Cis-Asarone SCHEMBL29655982 0.83 HMGCR (1.00) HMGCRCYP3A4TYRNFE2L2SNCA
Cis-Asarone SCHEMBL528747 0.83 HMGCR (1.00) HMGCRCYP3A4TYRNFE2L2SNCA
Trans-Asarone SCHEMBL940800 0.83 HMGCR (1.00) HMGCRCYP3A4TYRNFE2L2SNCA
Trans-Asarone SCHEMBL29433647 0.83 HMGCR (1.00) HMGCRCYP3A4TYRNFE2L2SNCA
Trans-Asarone SCHEMBL528746 0.83 HMGCR (1.00) HMGCRCYP3A4TYRNFE2L2SNCA
SCHEMBL22361000 0.82 CYP3A4 (0.52) HMGCRCYP3A4TYRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108753912-B High-throughput screening method for trans-anethole oxygenase mutant, mutant strain and mutant 江南大学 2021-08-24 CN disclosed
CN-108795889-B Trans-anethol oxygenase mutant and mutant strain 江南大学 2021-04-20 CN disclosed
CN-108753742-B Trans-anethole oxygenase mutant and mutant strain thereof 江南大学 2020-11-03 CN disclosed
CN-108753743-B Trans-anethole oxygenase mutants and mutants 江南大学 2020-11-03 CN disclosed
US-9131648-B2 Genes encoding chavicol/eugenol synthase from the creosote bush Larrea tridentata WASHINGTON STATE UNIVERSITY (US) 2015-09-15 US 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 HMGCR 78/4885CYP3A4 305/4885TYR 1933/4885

“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.