SCHEMBL12798285

SCHEMBL12798285

COc1cc(/C=C/C(=O)OC(CO)COC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.62
▸ MET P08581 7/20 0.60
▸ EPHX2 P34913 2/20 0.57
▸ CA12 O43570 3/20 0.56
▸ CA4 P22748 3/20 0.56
▸ CA6 P23280 3/20 0.56
▸ CA5A P35218 3/20 0.56
▸ CA7 P43166 3/20 0.56
▸ CA9 Q16790 3/20 0.56
▸ CA14 Q9ULX7 3/20 0.56
▸ CA5B Q9Y2D0 3/20 0.56
▸ TTR P02766 2/20 0.54
▸ HTR7 P34969 1/20 0.54
▸ CYP2D6 P10635 3/20 0.54
▸ APP P05067 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ ALOX5 P09917 2/20 0.54

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
SCHEMBL2832034 0.97 MAOB (0.66) MAOBMETEPHX2CA12CA4
SCHEMBL31588435 0.97 MAOB (0.66) MAOBMETEPHX2CA12CA4
SCHEMBL12731794 0.92 CA12 (0.63) MAOBMETEPHX2CA12CA4
SCHEMBL12731880 0.92 MAOB (0.63) MAOBMETEPHX2CA12CA4
SCHEMBL12731796 0.92 MAOB (0.60) MAOBMETEPHX2CA12CA4
SCHEMBL12731814 0.91 TTR (0.60) TTRAPPHSD17B10CYP1A2MAPT
SCHEMBL12793445 0.89 EPHX2 (0.56) MAOBMETEPHX2CA12CA4
SCHEMBL12731820 0.87 TTR (0.60) TTRAPPHSD17B10MAPTDPP4
SCHEMBL12731894 0.87 TTR (0.60) TTRAPPHSD17B10MAPTDPP4
SCHEMBL12731797 0.85 EPHX2 (0.53) MAOBMETEPHX2CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2011041907-A1 DERIVATIVES OF DI(PHENYLPROPANOID) GLYCEROL FOR THE TREATMENT OF CANCER MACGREGOR ALEXANDER (CA) 2011-04-14 — — 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-20150246014-A1 Derivatives of Propane Diyl Dicinnamate H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, DECR2, DECR1 MAOB 4261/4885MET 142/4885EPHX2 1718/4885

“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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