SCHEMBL7043916

SCHEMBL7043916

CCOC(=O)C=Cc1ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.77
MTNR1A P48039 2/20 0.77
HDAC3 O15379 1/20 0.71
HDAC4 P56524 1/20 0.71
HDAC1 Q13547 1/20 0.71
HDAC7 Q8WUI4 1/20 0.71
HDAC2 Q92769 1/20 0.71
HDAC10 Q969S8 1/20 0.71
HDAC11 Q96DB2 1/20 0.71
HDAC8 Q9BY41 1/20 0.71
HDAC6 Q9UBN7 1/20 0.71
HDAC9 Q9UKV0 1/20 0.71
HDAC5 Q9UQL6 1/20 0.71
FDPS P14324 2/20 0.65
MAOB P27338 1/20 0.58
ACHE P22303 4/20 0.55
BCHE P06276 3/20 0.55
TRPA1 O75762 1/20 0.54
ALOX5 P09917 1/20 0.52

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
SCHEMBL18265477 0.87 MTNR1A (1.00) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL16792056 0.87 MTNR1A (1.00) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL18265494 0.86 MTNR1A (0.98) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL16792042 0.86 MTNR1A (0.98) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL30302461 0.84 PTGES (0.73) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL29145012 0.84 PTGES (0.73) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL18585756 0.84 PTGES (0.73) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL16692678 0.84 PTGES (0.77) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL18010087 0.84 PTGES (0.77) PTGESMTNR1AHDAC3HDAC4HDAC1
SCHEMBL7030591 0.83 PTGES (0.52) PTGESMTNR1AHDAC3HDAC4HDAC1

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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2016-12-29 US disclosed
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2016-10-20 US disclosed
WO-2015089349-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS TABACZYNSKI DAVID A (US) 2015-06-18 WO disclosed
WO-2015084721-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS TABACZYNSKI DAVID A (US) 2015-06-11 WO disclosed
US-20030064119-A1 Methods and compositions for applying essential oils and naturally occurring compounds to plants to activate endogenous plant pathogen defense pathways EMERSON RALPH W (US) 2003-04-03 US disclosed
WO-2003000288-A1 METHODS AND COMPOSITIONS FOR ACTIVATING ENDOGENOUS PLANT PATHOGEN DEFENSE PATHWAYS THE BANKS GROUP, LLC (US) 2003-01-03 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 (2 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-20160375041-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT AUTOIMMUNE DISORDERS GGPS1, FDPS, COASY PTGES 406/4885MTNR1A 3430/4885HDAC3 4034/4885
US-20160303146-A1 INHIBITION OF ISOPRENOID BIOSYNTHETIC PATHWAYS TO TREAT NEUROINFLAMMATORY DISORDERS GGPS1, FDPS, COASY PTGES 30/4885MTNR1A 2496/4885HDAC3 3786/4885

“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.