SCHEMBL4400754

SCHEMBL4400754

O=[PH2]Oc1cccc(C(OCCOc2ccccc2)=C2C3CC4CC2CC(Cl)(C4)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
CNR2 P34972 2/20 0.35
THRB P10828 1/20 0.33
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F2 P00734 1/20 0.32
PLG P00747 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
C1S P09871 1/20 0.32
PRSS3 P35030 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL4388186 0.87 THRB (0.37) FAAHCNR2THRBKMT2AMEN1
SCHEMBL4394402 0.86 OPRM1 (0.38) FAAHCNR2THRBKMT2AMEN1
SCHEMBL7620857 0.86 FAAH (0.37) FAAHCNR2THRBKMT2AMEN1
SCHEMBL7624346 0.72 SRC (0.38) FAAHCNR2THRBKMT2AMEN1
SCHEMBL4391493 0.72 OPRM1 (0.42) FAAHCNR2THRBLMNAMAPK1
SCHEMBL4400759 0.70
SCHEMBL1041440 0.68 KMT2A (0.41) FAAHCNR2KMT2AMEN1NPC1
SCHEMBL7619699 0.68 FOXM1 (0.34) FAAHCNR2THRBKMT2ALMNA
SCHEMBL8733834 0.67 KMT2A (0.42) FAAHCNR2KMT2AMEN1NPC1
SCHEMBL8734196 0.67 KMT2A (0.41) FAAHCNR2KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112274-B1 CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2009-12-09 EP disclosed
US-7422908-B2 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P 2008-09-09 US disclosed
US-7416898-B2 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P 2008-08-26 US disclosed
US-20040077018-A1 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P (US) 2004-04-22 US disclosed
US-20030213940-A1 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P (US) 2003-11-20 US disclosed
US-6461876-B1 STABLE SPIROFUSED RINGS; DECOMPOSING TO GENERATE LIGHT AND CARBONYL GROUP; HIGH ENERGY; MEDICINE TOBEN, HOWARD R. 2002-10-08 US disclosed
EP-1112274-A4 CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2002-06-12 EP disclosed
EP-1112274-A1 CHEMILUMINESCENT 1,2-DIOXETANES Giri, Brij P. (US) 2001-07-04 EP disclosed
WO-2000014092-A1 CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2000-03-16 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-20040077018-A1 Chemiluminescent 1,2-dioxetanes CYP19A1, CYP1A1, CYP2F1 FAAH 3202/4885CNR2 2761/4885THRB 1102/4885

“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.