SCHEMBL12793495

SCHEMBL12793495

COC(=O)c1cc(O)c(O)c(N=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.69
▸ KDM4E B2RXH2 4/20 0.69
▸ XDH P47989 2/20 0.69
▸ TDP1 Q9NUW8 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ GFER P55789 1/20 0.69
▸ NFKB2 Q00653 1/20 0.69
▸ RELA Q04206 1/20 0.69
▸ FUT7 Q11130 1/20 0.69
▸ L3MBTL1 Q9Y468 1/20 0.69
▸ CA12 O43570 3/20 0.50
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA7 P43166 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50
▸ CNR2 P34972 2/20 0.47
▸ PTPN11 Q06124 3/20 0.47

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
SCHEMBL23750514 0.86 POLB (0.60) LMNAKDM4EXDHTDP1POLB
SCHEMBL16900476 0.84 LMNA (0.61) LMNAKDM4EXDHTDP1POLB
SCHEMBL21729793 0.83 GAA (0.50) LMNAKDM4EXDHTDP1POLB
Gallic Acid Methyl Ester SCHEMBL39513 0.82 KDM4E (1.00) LMNAKDM4EXDHTDP1POLB
SCHEMBL17297683 0.81 CA12 (0.54) CA12CA1CA2CA7CA9
Gallic Acid Methyl Ester SCHEMBL21611341 0.81 KDM4E (0.95) LMNAKDM4EXDHTDP1POLB
Gallic Acid Methyl Ester SCHEMBL21543905 0.81 KDM4E (0.95) LMNAKDM4EXDHTDP1POLB
Gallic Acid Methyl Ester SCHEMBL28507408 0.81 KDM4E (0.95) LMNAKDM4EXDHTDP1POLB
Gallic Acid Methyl Ester SCHEMBL28556619 0.81 KDM4E (0.95) LMNAKDM4EXDHTDP1POLB
SCHEMBL6430785 0.79 CA5A (0.45) LMNAKDM4EXDHTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017108978-A1 PASSION FLOWER SEED EXTRACT, AND COSMETIC, PHARMACEUTICAL OR DERMATOLOGICAL COMPOSITIONS CONTAINING SAME LABORATOIRES EXPANSCIENCE (FR) 2017-06-29 — — WO disclosed
US-20150246014-A1 Derivatives of Propane Diyl Dicinnamate ORX PHARMACEUTICAL CORPORATION (CA) 2015-09-03 — — US disclosed
US-9061993-B2 Derivatives of propane diyl dicinnamate Toronto Institute of Pharmaceutical Technology (CA) 2015-06-23 — — US disclosed
US-20110086912-A1 Derivatives of Propane Diyl Dicinnamate MACGREGOR ALEXANDER 2011-04-14 — — US disclosed
US-20090236229-A1 METHODS FOR PREPARING POLYMER COATINGS BY ELECTROCHEMICAL GRAFTING OF POLYMER BRUSHES, COMPOSITIONS PREPARED THEREBY AND COMPOSITIONS FOR PREPARING THE COATINGS THE UNIVERSITY OF HOUSTON SYSTEM (US) 2009-09-24 — — 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 (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-20150246014-A1 Derivatives of Propane Diyl Dicinnamate H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DECR2, DECR1 LMNA 3051/4885KDM4E 1830/4885XDH 3363/4885
US-20110086912-A1 Derivatives of Propane Diyl Dicinnamate H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DECR2, DECR1 LMNA 3050/4885KDM4E 1786/4885XDH 3258/4885

“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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