SCHEMBL4483616

SCHEMBL4483616

CC(=O)OC[C@H](Cc1cccc(OC(C)=O)c1)[C@H](COC(C)=O)Cc1cccc(OC(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
LMNA P02545 1/20 0.49
ACHE P22303 6/20 0.45
PARP1 P09874 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL11280341 1.00 CYP3A4 (0.49) CYP3A4LMNAACHEPARP1MEN1
SCHEMBL11280835 0.95 CYP3A4 (0.44) CYP3A4LMNAACHEPARP1MEN1
SCHEMBL1787452 0.81 CYP3A4 (0.54) CYP3A4LMNAACHEPARP1MEN1
SCHEMBL694663 0.80 TAAR1 (0.63) CYP3A4LMNAACHEPARP1TAAR1
SCHEMBL694664 0.80 TAAR1 (0.63) CYP3A4LMNAACHEPARP1TAAR1
SCHEMBL10351327 0.80 CYP3A4 (0.61) CYP3A4LMNAACHEPARP1MEN1
SCHEMBL3156480 0.78 SLC7A5 (0.59) CYP3A4LMNA
SCHEMBL9362791 0.76 CYP3A4 (0.59) CYP3A4LMNAACHEPARP1MEN1
SCHEMBL31525960 0.76 CYP3A4 (0.59) CYP3A4LMNAACHEPARP1MEN1
SCHEMBL3339215 0.76 CYP3A4 (0.59) CYP3A4LMNAACHEPARP1MEN1

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
US-7528166-B2 Having protected phase II conjugation reactive phenolic hydroxy groups; bioavailability; nutraceuticals, dietary supplements, food products HORMOS MEDICAL CORPORATION (FI) 2009-05-05 US disclosed
US-20050101541-A1 Lignan derivatives HORMOS MEDICAL CORPORATION (FI) 2005-05-12 US disclosed
EP-1472206-A1 LIGNAN DERIVATIVES Hormos Medical Corporation (FI) 2004-11-03 EP disclosed
WO-2003066556-A1 LIGNAN DERIVATIVES HORMOS MEDICAL CORPORATION (FI) 2003-08-14 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-20050101541-A1 Lignan derivatives EBP, ELOVL3, LCT CYP3A4 71/4885LMNA 218/4885ACHE 1709/4885

“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.