SCHEMBL634059

SCHEMBL634059

O=C(/C=C/c1ccc(O)cc1)c1cc(O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 1.00
GUSB P08236 4/20 0.82
AR P10275 1/20 0.77
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
CYP3A4 P08684 3/20 0.75
MAPT P10636 3/20 0.75
HPGD P15428 3/20 0.75
TDP1 Q9NUW8 3/20 0.75
ALOX15 P16050 3/20 0.75
MAPK1 P28482 3/20 0.75
NFKB1 P19838 3/20 0.75
CYP2C9 P11712 2/20 0.75
CYP2C19 P33261 2/20 0.75
HSD17B10 Q99714 2/20 0.75
TP53 P04637 2/20 0.75
KDM4E B2RXH2 2/20 0.75
ALDH1A1 P00352 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
AKR1B1 P15121 2/20 0.75

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
SCHEMBL634060 1.00 CHRNA7 (1.00) CHRNA7GUSBARMEN1KMT2A
SCHEMBL31619687 0.90 CHRNA7 (0.82) CHRNA7GUSBARMEN1KMT2A
SCHEMBL4362332 0.90 CHRNA7 (0.82) CHRNA7GUSBARMEN1KMT2A
SCHEMBL1373434 0.90 GUSB (1.00) CHRNA7GUSBARMEN1KMT2A
SCHEMBL127853 0.90 GUSB (1.00) CHRNA7GUSBARMEN1KMT2A
SCHEMBL5512150 0.90 CHRNA7 (0.81) CHRNA7GUSBMEN1KMT2AMAPT
SCHEMBL4969800 0.90 CHRNA7 (0.81) CHRNA7GUSBMEN1KMT2AMAPT
SCHEMBL5082149 0.86 MAPT (1.00) CHRNA7GUSBMEN1KMT2ACYP3A4
SCHEMBL5082144 0.86 MAPT (1.00) CHRNA7GUSBMEN1KMT2ACYP3A4
Isoliquiritigenin SCHEMBL10408923 0.86 CYP3A4 (1.00) CHRNA7MEN1KMT2ACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US claimed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 WO disclosed
EP-1888174-B1 USE OF CHALCONES FOR THE TREATMENT OF VIRAL DISORDERS JOHNSON & JOHNSON CONSUMER (US) 2012-02-22 EP disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 WO disclosed
EP-1888174-A1 USE OF CHALCONES FOR THE TREATMENT OF VIRAL DISORDERS Johnson and Johnson Consumer Companies, Inc. (US) 2008-02-20 EP disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 WO disclosed
WO-2006127539-A1 USE OF CHALCONES FOR THE TREATMENT OF VIRAL DISORDERS JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2006-11-30 WO disclosed
US-20060270614-A1 Use of chalcones for the treatment of viral disorders JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2006-11-30 US disclosed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS 1993-06-16 EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 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 (3 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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD CHRNA7 3040/4885GUSB 90/4885AR 2668/4885
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 CHRNA7 684/4885GUSB 1101/4885AR 152/4885
US-20060270614-A1 Use of chalcones for the treatment of viral disorders HAVCR2, HMGB3, EIF2AK2 CHRNA7 4811/4885GUSB 1213/4885AR 4802/4885

“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.