SCHEMBL3224752

SCHEMBL3224752

CCCCC(=O)C1COO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.41
CES2 O00748 5/20 0.41
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
CA1 P00915 1/20 0.37
PRKCA P17252 1/20 0.36
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
AKR1B1 P15121 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL14017948 0.83
SCHEMBL725383 0.77 CES2 (0.39) CES1CES2ALDH1A1PRKCAAKR1B1
SCHEMBL11194433 0.77 CES2 (0.46) CES1CES2ALDH1A1PRKCAAKR1B1
SCHEMBL31347976 0.75 CES2 (0.48) CES1CES2ALDH1A1PRKCATHRA
SCHEMBL31347986 0.75 CES2 (0.48) CES1CES2ALDH1A1PRKCATHRA
SCHEMBL11122445 0.75 CES2 (0.48) CES1CES2ALDH1A1PRKCATHRA
SCHEMBL2356106 0.75 CES2 (0.48) CES1CES2ALDH1A1PRKCATHRA
SCHEMBL27488898 0.73 CES1 (0.36) CES1CES2LMNAALDH1A1TP53
SCHEMBL6142686 0.71 SMN1; SMN2 (0.47) LMNAALDH1A1TP53
SCHEMBL6142683 0.71 SMN1; SMN2 (0.47) LMNAALDH1A1TP53

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533974-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates MICHIGAN DIAGNOSTICS, LLC (US) 2017-01-03 US disclosed
US-20150031889-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL (US) 2015-01-29 US disclosed
US-8932881-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2015-01-13 US disclosed
US-8822233-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates GIRI BRIJ PAL (US) 2014-09-02 US disclosed
US-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-05-01 US disclosed
US-20140088297-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-03-27 US disclosed
US-20140073771-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES MICHIGAN DIAGNOSTICS, LLC (US) 2014-03-13 US disclosed
US-8546150-B2 Ultra-sensitive chemiluminescent substrates for enzymes and their conjugates Michigan Diagnostics, L.L.C. (US) 2013-10-01 US disclosed
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 US disclosed
US-20100317031-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES GIRI BRIJ PAL 2010-12-16 US disclosed
EP-1112274-B1 CHEMILUMINESCENT 1,2-DIOXETANES GIRI BRIJ P (US) 2009-12-09 EP disclosed
EP-2048140-A1 Deuterated chemiluminescent 1,2-dioxetanes Giri, Brij P. (US) 2009-04-15 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-20070225498-A1 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. MICHIGAN DIAGNOSTICS, LLC 2007-09-27 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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 CES1 133/4885CES2 513/4885LMNA 2716/4885
US-20140088297-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO CES1 90/4885CES2 43/4885LMNA 2129/4885
US-20140121362-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO CES1 90/4885CES2 43/4885LMNA 2129/4885
US-20150031889-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO CES1 77/4885CES2 43/4885LMNA 1938/4885
US-20070225498-A1 water-soluble, stable in aqueous buffers, for use in biological assaying include acridane-based compounds and (1,2)-dioxetanes; used in the detection of antibodies or antigen in biological fluids and for compounds, particularly toxins and contaminants in the environment and food. BTD, DDT, LPO CES1 196/4885CES2 159/4885LMNA 2310/4885
US-20100317031-A1 ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, MPO CES1 69/4885CES2 43/4885LMNA 1953/4885
US-20100317122-A1 NEW ULTRA-SENSITIVE CHEMILUMINESCENT SUBSTRATES FOR ENZYMES AND THEIR CONJUGATES DUOX1, XDH, LPO CES1 112/4885CES2 45/4885LMNA 2175/4885

“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.