SCHEMBL7307689

SCHEMBL7307689

CCCCOc1cc(O)cc(OCCCC)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.59
NR5A1 Q13285 1/20 0.59
CNR1 P21554 8/20 0.56
CNR2 P34972 7/20 0.56
PLA2G2A P14555 1/20 0.52
GPR84 Q9NQS5 1/20 0.51
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGS2 P35354 1/20 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
SCHEMBL10764141 0.95 LTA4H (0.59) LTA4HNR5A1CNR1CNR2PLA2G2A
SCHEMBL27574766 0.91 NR5A1 (0.66) LTA4HNR5A1CNR1CNR2PLA2G2A
SCHEMBL4417414 0.91 NR5A1 (0.66) LTA4HNR5A1CNR1CNR2PLA2G2A
SCHEMBL6816991 0.91 NR5A1 (0.66) LTA4HNR5A1CNR1CNR2PLA2G2A
SCHEMBL168063 0.89 NR5A1 (0.62) LTA4HNR5A1CNR1CNR2PLA2G2A
SCHEMBL2004550 0.88 LTA4H (0.55) LTA4HNR5A1CNR1CNR2PLA2G2A
SCHEMBL2759077 0.88 PLA2G2A (0.55) LTA4HNR5A1PLA2G2AGAARAB9A
SCHEMBL17463438 0.88 LTA4H (0.52) LTA4HNR5A1CNR1CNR2GPR84
SCHEMBL11806779 0.87 NR5A1 (0.66) LTA4HNR5A1CNR1CNR2PLA2G2A
SCHEMBL11802130 0.87 NR5A1 (0.66) LTA4HNR5A1CNR1CNR2PLA2G2A

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
EP-2557079-A1 Synthesis of catechin and epicatechin conjugates Nestec S.A. (CH) 2013-02-13 EP disclosed
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 US disclosed
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 WO disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP 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-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD LTA4H 1409/4885NR5A1 659/4885CNR1 3961/4885

“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.