SCHEMBL6991035

SCHEMBL6991035

CC(O)c1occc(=O)c1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
GAA P10253 1/20 0.65
MAOB P27338 2/20 0.47
POLB P06746 1/20 0.47
MAOA P21397 1/20 0.46
HTT P42858 3/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNA2 P16389 1/20 0.44
KCNA5 P22460 1/20 0.44
KCNA1 Q09470 1/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KCNA3 P22001 2/20 0.43
GLRA1 P23415 1/20 0.43
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28424356 0.86 LMNA (0.55) LMNAGAAMAOBPOLBMAOA
SCHEMBL16374957 0.84 LMNA (0.63) LMNAGAAMAOBPOLBMAOA
SCHEMBL7000379 0.84 LMNA (0.63) LMNAGAAMAOBPOLBMAOA
SCHEMBL6197659 0.84 LMNA (0.59) LMNAGAAMAOBPOLBMAOA
SCHEMBL16345760 0.83 LMNA (0.65) LMNAGAAMAOBPOLBMAOA
SCHEMBL12397417 0.82 LMNA (0.60) LMNAGAAMAOBPOLBMAOA
SCHEMBL28892111 0.82 LMNA (0.57) LMNAGAAMAOBPOLBMAOA
SCHEMBL6196494 0.82 LMNA (0.60) LMNAGAAMAOBPOLBMAOA
SCHEMBL21627180 0.81 LMNA (0.55) LMNAGAAMAOBPOLBMAOA
SCHEMBL6196940 0.80 LMNA (0.54) LMNAGAAMAOBPOLBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2692724-B1 CHIRAL 3-HYDROXYPYRID-4-ONE DERIVATIVE, AND SYNTHESIS AND USE THEREOF UNIV ZHEJIANG (CN) 2016-03-16 EP disclosed
EP-2692724-A1 CHIRAL 3-HYDROXYPYRID-4-ONE DERIVATIVE, AND SYNTHESIS AND USE THEREOF Zhejiang University (CN) 2014-02-05 EP disclosed
US-6506911-B2 Reacting a 2-(1-hydroxyalkyl)-3-hydroxypyran-4(1H)one compound with benzaldehyde dimethyl acetal to form 8-oxo-4,8-dihydro-2-phenyl-4h(3,2-d)-m-dioxin, reacting it with an amine compound to form an intermediate, then reducing BTG INTERNATIONAL LIMITED (GB) 2003-01-14 US disclosed
EP-0984934-B1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNAT LTD COMPANY NO 26 (GB) 2003-01-08 EP disclosed
US-6448273-B1 SUCH AS 2,6-DIMETHOXYMETHYL-1-METHYL-3-BENZYLOXPYRIDIN-4(1H)-ONE; TREATING DISORDERS ASSOCIATED WITH IRON DISTRIBUTION AND IRON DEPENDANT PARASITES; REDUCED LEVELS OF ACTIVE AGENT; SELECTIVE TARGETING TO TISSUES AND LIVER; METABOLIC STABILITY BTG INTERNATIONAL LIMITED (GB) 2002-09-10 US disclosed
US-20020068758-A1 Novel orally active iron (III) chelators BTG INTERNATIONAL LIMITED. 2002-06-06 US disclosed
US-6335353-B1 3-HYDROXYPYRIDIN-4-ONE DERIVATIVE; IRON DEFICIENCY ANEMIA AND THALASSEMIA TREATMENT BTG INTERNATIONAL LIMITED (GB) 2002-01-01 US disclosed
EP-0984934-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (Company No. 2664412) (GB) 2000-03-15 EP disclosed
WO-1998054138-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (GB) 1998-12-03 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-20020068758-A1 Novel orally active iron (III) chelators HAMP, HRH2, GRHPR LMNA 2634/4885GAA 1367/4885MAOB 2587/4885

“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.