SCHEMBL4394402

SCHEMBL4394402

Oc1cccc(C(OCCOc2ccccc2)=C2C3CC4CC2CC(Cl)(C4)C3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.38
OPRD1 P41143 2/20 0.38
FAAH O00519 2/20 0.35
CNR2 P34972 1/20 0.35
ESR1 P03372 2/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
DRD3 P35462 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 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
SCHEMBL4400754 0.86 FAAH (0.35) OPRM1OPRD1FAAHCNR2THRB
SCHEMBL4391493 0.86 OPRM1 (0.42) OPRM1OPRD1FAAHCNR2ESR1
SCHEMBL7620857 0.85 FAAH (0.37) OPRM1OPRD1FAAHCNR2THRB
SCHEMBL2626945 0.79 FAAH (0.43) FAAHCNR2MEN1NPC1RAB9A
SCHEMBL30518974 0.79 FAAH (0.43) FAAHCNR2MEN1NPC1RAB9A
SCHEMBL25317885 0.79 FAAH (0.43) FAAHCNR2MEN1NPC1RAB9A
SCHEMBL25410597 0.79 FAAH (0.43) FAAHCNR2MEN1NPC1RAB9A
SCHEMBL13892581 0.73 FAAH (0.43) FAAHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4400759 0.72
SCHEMBL8479178 0.72 ESR1 (0.39) FAAHESR1

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 1168/4885FAAH 3202/4885

“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.