SCHEMBL13984043

SCHEMBL13984043

COc1cc(/C=C/c2ccc(C)cc2)cc(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 7/20 0.77
CYP1B1 Q16678 7/20 0.77
NQO2 P16083 5/20 0.77
ESR1 P03372 4/20 0.77
TTR P02766 4/20 0.77
ALOX5 P09917 4/20 0.77
PTGS2 P35354 3/20 0.77
CYP1A2 P05177 3/20 0.77
TUBB4A P04350 3/20 0.77
TUBB P07437 3/20 0.77
TUBA3C P0DPH7 3/20 0.77
TUBA1B P68363 3/20 0.77
TUBA4A P68366 3/20 0.77
TUBB4B P68371 3/20 0.77
TUBB3 Q13509 3/20 0.77
TUBB2A Q13885 3/20 0.77
TUBB8 Q3ZCM7 3/20 0.77
TUBA3E Q6PEY2 3/20 0.77
TUBA1A Q71U36 3/20 0.77
TUBA1C Q9BQE3 3/20 0.77

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
SCHEMBL12667489 1.00 CYP1A1 (0.77) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL10312395 0.92 RELA (0.68) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL13409620 0.92 RELA (0.81) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL8206188 0.89 CYP1A1 (0.62) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL8206185 0.89 CYP1A1 (0.62) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL12729821 0.89 PTGS2 (0.80) CYP1A1CYP1B1NQO2ESR1TTR
Trismethoxyresveratrol SCHEMBL918740 0.87 CYP1A1 (1.00) CYP1A1CYP1B1NQO2ESR1TTR
8Z-3,4',5-Trimethoxystilbene SCHEMBL1006207 0.87 CYP1A1 (1.00) CYP1A1CYP1B1NQO2ESR1TTR
Trismethoxyresveratrol SCHEMBL918739 0.87 CYP1A1 (1.00) CYP1A1CYP1B1NQO2ESR1TTR
SCHEMBL10097227 0.85 RELA (1.00) CYP1A1CYP1B1NQO2ESR1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 WO disclosed
US-8912234-B2 Composition containing resveratrol and/or derivatives thereof and plant oil, process for producing said composition, nutraceutical and/or pharmaceutical product, and method for enhancing the potential of resveratrol UNIAO Brasileria de Educacao e Assistencia—Mantenedora da PUCRS (BR) 2014-12-16 US disclosed
US-20130040920-A1 COMPOSITION CONTAINING RESVERATROL AND/OR DERIVATIVES THEREOF AND PLANT OIL, PROCESS FOR PRODUCING SAID COMPOSITION, NUTRACEUTICAL AND/OR PHARMACEUTICAL PRODUCT, AND METHOD FOR ENHANCING THE POTENTIAL OF RESVERATROL UNIAO Brasileira de Educacao e Assistencia- Matenedora da PUCRS (BR) 2013-02-14 US disclosed
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 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-20130040920-A1 COMPOSITION CONTAINING RESVERATROL AND/OR DERIVATIVES THEREOF AND PLANT OIL, PROCESS FOR PRODUCING SAID COMPOSITION, NUTRACEUTICAL AND/OR PHARMACEUTICAL PRODUCT, AND METHOD FOR ENHANCING THE POTENTIAL OF RESVERATROL GPR119, MAVS, SIRT1 CYP1A1 1104/4885CYP1B1 1838/4885NQO2 945/4885

“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.