SCHEMBL4391493

SCHEMBL4391493

Oc1cccc(C(OCCOc2ccccc2)=C2C3CC4CC(C3)CC2C4)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
THRB P10828 1/20 0.37
ESR1 P03372 3/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DRD3 P35462 1/20 0.36
FOXM1 Q08050 5/20 0.36
F2 P00734 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
C1S P09871 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL4394402 0.86 OPRM1 (0.38) OPRM1OPRD1THRBESR1DRD2
SCHEMBL4388186 0.84 THRB (0.37) OPRM1OPRD1THRBFOXM1F2
SCHEMBL7624346 0.83 SRC (0.38) OPRM1OPRD1THRBFOXM1F2
SCHEMBL8479178 0.83 ESR1 (0.39) ESR1FOXM1FAAH
SCHEMBL8474227 0.83 FAAH (0.36) ESR1CHRNB2CHRNA4FAAH
SCHEMBL8475725 0.83 FAAH (0.36) ESR1DRD2FAAH
SCHEMBL8475917 0.83 FAAH (0.36) ESR1CHRNB2CHRNA4FAAH
SCHEMBL7619699 0.81 FOXM1 (0.34) OPRM1OPRD1THRBFOXM1F2
SCHEMBL8478038 0.80 ESR1 (0.41) ESR1FAAHCNR2
SCHEMBL9050416 0.80 FAAH (0.38) ESR1CHRNB2CHRNA4FAAH

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 13 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-7422908-B2 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P 2008-09-09 US 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-7416898-B2 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P 2008-08-26 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 OPRM1 2120/4885OPRD1 1168/4885THRB 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.