SCHEMBL3770347

SCHEMBL3770347

O=C(Oc1c(C(=O)O)ccc2ccccc12)c1ccc2ccccc2c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.68
WDR5 P61964 1/20 0.51
CYP1B1 Q16678 3/20 0.48
CYP1A1 P04798 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
CFTR P13569 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ATM Q13315 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL25371244 0.89 LDHA (0.60) LDHAWDR5CYP1B1CYP1A1ABCG2
SCHEMBL4194660 0.85 LDHA (0.51) LDHAWDR5NR4A1NR4A2NR4A3
SCHEMBL12919777 0.84 LDHA (0.66) LDHAWDR5CYP1B1CYP1A1ABCG2
SCHEMBL27607 0.83 LDHA (0.64) LDHAWDR5CYP1B1CYP1A1ABCG2
SCHEMBL29361815 0.83 LDHA (0.64) LDHAWDR5CYP1B1CYP1A1ABCG2
SCHEMBL8001588 0.82 LDHA (0.51) LDHACYP1B1CYP1A1ABCG2CFTR
Carboxynaphthol SCHEMBL25244 0.82 LDHA (1.00) LDHAWDR5CYP1B1CYP1A1ABCG2
Carboxynaphthol SCHEMBL2099330 0.82 LDHA (1.00) LDHAWDR5CYP1B1CYP1A1ABCG2
Carboxynaphthol SCHEMBL3770341 0.82 LDHA (1.00) LDHAWDR5CYP1B1CYP1A1ABCG2
SCHEMBL1411204 0.81 GPR35 (0.69) LDHAWDR5KMT2AKDM4ENPC1

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
US-9084799-B2 Inhaled combination therapy PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2015-07-21 US disclosed
US-20130203716-A1 Inhaled Combination Therapy PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-08-08 US disclosed
US-8431553-B2 Combination of methylxanthine compounds and steroids to treat chronic respiratory diseases PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-04-30 US disclosed
US-8426393-B2 Inhaled combination therapy PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2013-04-23 US disclosed
CN-102526074-A Combination of methylxanthine compounds and steroids to treat chronic respiratory diseases ARGENTA DISCOVERY LTD 2012-07-04 CN disclosed
US-20100324002-A1 Inhaled combination therapy FOX JUSTIAN CRAIG 2010-12-23 US disclosed
EP-1845994-B1 COMBINATION OF METHYLXANTHINE COMPOUNDS AND STEROIDS TO TREAT CHRONIC RESPIRATORY DISEASES ARGENTA DISCOVERY LTD (GB) 2009-01-21 EP disclosed
US-20080318913-A1 Combination of Methylxanthine Compounds and Steroids to Treat Chronic Respiratory Diseases PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2008-12-25 US disclosed
US-20080318912-A1 Medicaments for Treating Chronic Respiratory Disease PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2008-12-25 US disclosed
EP-1845994-A1 COMBINATION OF METHYLXANTHINE COMPOUNDS AND STEROIDS TO TREAT CHRONIC RESPIRATORY DISEASES Argenta Discovery Limited (GB) 2007-10-24 EP disclosed
EP-1773342-A1 MEDICAMENTS FOR TREATING CHRONIC RESPIRATORY DISEASE Argenta Discovery Limited (GB) 2007-04-18 EP disclosed
WO-2006085102-A1 COMBINATION OF METHYLXANTHINE COMPOUNDS AND STEROIDS TO TREAT CHRONIC RESPIRATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2006-08-17 WO disclosed
WO-2006013359-A1 MEDICAMENTS FOR TREATING CHRONIC RESPIRATORY DISEASE ARGENTA DISCOVERY LIMITED (GB) 2006-02-09 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 (4 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-20130203716-A1 Inhaled Combination Therapy CYP11B2, CYP11B1, TBXA2R LDHA 3131/4885WDR5 2933/4885CYP1B1 206/4885
US-20080318913-A1 Combination of Methylxanthine Compounds and Steroids to Treat Chronic Respiratory Diseases CYP11B2, CYP11B1, CYP27A1 LDHA 2169/4885WDR5 3667/4885CYP1B1 186/4885
US-20080318912-A1 Medicaments for Treating Chronic Respiratory Disease NR3C2, MRGPRX2, EPX LDHA 384/4885WDR5 3509/4885CYP1B1 3064/4885
US-20100324002-A1 Inhaled combination therapy CYP11B2, CYP11B1, TBXA2R LDHA 3131/4885WDR5 2933/4885CYP1B1 206/4885

“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.