SCHEMBL4556519

SCHEMBL4556519

CCCCOc1ccc(C(O)c2ccc(OCCCC)cc2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
NR5A1 Q13285 1/20 0.50
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 2/20 0.43
BCHE P06276 1/20 0.43
TYR P14679 1/20 0.43
ACHE P22303 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GPR84 Q9NQS5 1/20 0.43
SLC2A1 P11166 2/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL13303326 0.82 LTA4H (0.55) LTA4HNR5A1MAPK1SMN1; SMN2SLC2A1
SCHEMBL4282982 0.78 MAPT (0.50) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL2687958 0.78 LMNA (0.56) GAAMAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL6709441 0.78 L3MBTL1 (0.45) LTA4HMEN1NPC1ALDH1A1GAA
SCHEMBL533759 0.77 NR5A1 (0.65) LTA4HNR5A1NPC1GAAMAPT
SCHEMBL28983023 0.77 NR5A1 (0.65) LTA4HNR5A1NPC1GAAMAPT
SCHEMBL3999254 0.76 BCHE (0.41) NPC1RAB9AL3MBTL1BCHETYR
SCHEMBL4000430 0.76 TYR (0.55) LTA4HMEN1NPC1ALDH1A1MAPT
SCHEMBL31111454 0.75 CYSLTR2 (0.45) NR5A1ALDH1A1SLC2A1
SCHEMBL339126 0.75 MEN1 (0.65) LTA4HNR5A1MEN1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507549-B2 Methods for synthesizing glycinols, glyceollins I and II and isoflavenes and chromanes using a Wittig reaction, and compositions made therewith THE UNIVERSITY OF TOLEDO (US) 2013-08-13 US disclosed
US-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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 (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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 LTA4H 1735/4885NR5A1 692/4885MEN1 377/4885

“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.