SCHEMBL3418462

SCHEMBL3418462

COCOc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.59
LTA4H P09960 5/20 0.48
ABL1 P00519 2/20 0.48
ABCB1 P08183 2/20 0.48
BCR P11274 2/20 0.48
ESR1 P03372 1/20 0.46
NR5A1 Q13285 1/20 0.46
APP P05067 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL1923910 0.94 LTA4H (0.54) ESR2LTA4HESR1NR5A1APP
SCHEMBL197283 0.89 FYN (0.45) ESR2CYP1A2CYP2C19FYN
SCHEMBL6059624 0.87 ESR2 (0.56) ESR2LTA4HABL1ABCB1BCR
SCHEMBL9149725 0.84 ALOX15 (0.50) ESR2LTA4HNR5A1APPLMNA
SCHEMBL3589633 0.82 NQO1 (0.50) LTA4HAPPFYN
SCHEMBL7917011 0.82 ESR2 (0.57) ESR2LTA4HABL1ABCB1BCR
SCHEMBL25124165 0.81 ESR1 (0.57) ESR2LTA4HESR1NR5A1LMNA
SCHEMBL2130060 0.81 LSS (0.52) LTA4HLMNAHDAC6NPC1TP53
SCHEMBL17546742 0.80 FYN (0.48) ESR2LMNANPC1TP53MAPK1
SCHEMBL14227001 0.80 PKM (0.66) LTA4HLMNA

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-7767739-B2 Cyanato group-containing cyclic phosphazene compound and method for producing the same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2010-08-03 US disclosed
US-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same FUSHIMI PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 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-20090170983-A1 Cyanato Group-Containing Cyclic Phosphazene Compound and Method for Producing The Same CENPE, CPNE4, MCM3 ESR2 3003/4885LTA4H 489/4885ABL1 315/4885

“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.