SCHEMBL4395859

SCHEMBL4395859

O=C(OCC(F)(F)F)c1cccc(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.60
NPC1 O15118 2/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
XBP1 P17861 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
JMJD6 Q6NYC1 1/20 0.48
MAPK1 P28482 3/20 0.47
HIF1A Q16665 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 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
SCHEMBL1996803 0.90 MAPT (0.58) RAB9ANPC1GAAMAPTXBP1
SCHEMBL23484460 0.86 MAPK1 (0.65) RAB9ANPC1GAAMAPTXBP1
SCHEMBL18652192 0.83 ADRB2 (0.57) RAB9ANPC1ESR1ESR2ADRB2
SCHEMBL23484564 0.83 ADRB2 (0.57) RAB9ANPC1GAAMAPTXBP1
SCHEMBL14076762 0.82 ELANE (0.59) RAB9ANPC1GAAMAPTXBP1
SCHEMBL23484318 0.82 MAPK1 (0.59) RAB9ANPC1GAAMAPTXBP1
SCHEMBL17177747 0.81 RAB9A (0.58) RAB9ANPC1ESR1ESR2ADRB2
SCHEMBL23484462 0.81 MAPK1 (0.62) RAB9ANPC1SMN1; SMN2TDP1ESR1
SCHEMBL7773822 0.80 RAB9A (0.61) RAB9ANPC1TDP1ESR1ESR2
SCHEMBL1434120 0.80 MAPK1 (0.71) RAB9ANPC1GAAMAPTXBP1

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 21 patents — showing the first 20. 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
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-6767716-B2 THE 1,2-DIOXETANE; A POLYMERIC ENHANCER WHICH IS EITHER AN AMMONIUM OR PHOSPHONIUM SALT OF A POLYVINYLBENZYL CHLORIDE AND AN AQUEOUS ENZYME DILUENT OR STABILIZER; DETECTION OF PHOSPHATASE, BETA-GALACTOSIDASE, AND CHOLINESTERASE GIRI BRIJ P (US) 2004-07-27 US disclosed
US-20040077018-A1 Chemiluminescent 1,2-dioxetanes GIRI BRIJ P (US) 2004-04-22 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-0790991-B1 NOVEL 1,2-DIOXETANE COMPOUNDS WITH HALOALKOXY GROUPS, METHODS OF PREPARATION AND USE TROPIX INC (US) 2002-05-29 EP disclosed
US-20020013250-A1 Single molecule detection of alkaline phosphatase enzyme using enhanced chemiluminescence from 1,2-dioxetanes and water-soluble, water-insoluble or partially-water soluble polymers GIRI BRIJ P (US) 2002-01-31 US 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
US-5773628-A CHEMILUMINESCENT ASSAY OF PHOSPHATASE TROPIX, INC. (US) 1998-06-30 US disclosed
EP-0790991-A4 1997-09-03 EP disclosed
EP-0790991-A1 NOVEL 1,2-DIOXETANE COMPOUNDS WITH HALOALKOXY GROUPS, METHODS OF PREPARATION AND USE TROPIX, INC. (US) 1997-08-27 EP disclosed
WO-1996015122-A1 NOVEL 1,2-DIOXETANE COMPOUNDS WITH HALOALKOXY GROUPS, METHODS OF PREPARATION AND USE TROPIX, INC. (US) 1996-05-23 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 RAB9A 2049/4885NPC1 4077/4885GAA 3015/4885

“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.