SCHEMBL6998735

SCHEMBL6998735

CCC(O)c1oc(C)cc(=O)c1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.53
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
POLB P06746 2/20 0.43
MAOB P27338 2/20 0.42
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
CREB1 P16220 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
GLRA1 P23415 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
SCHEMBL6991017 0.87 IDH1 (0.55) IDH1LMNAGAAPOLBMAOB
SCHEMBL6996701 0.84 IDH1 (0.49) IDH1LMNAGAAPOLBMAOB
SCHEMBL2116063 0.83 IDH1 (0.53) IDH1LMNAGAAPOLBMAOB
SCHEMBL2116142 0.82 IDH1 (0.51) IDH1LMNAGAAPOLBMAOB
SCHEMBL6992984 0.81 IDH1 (0.49) IDH1LMNAGAAPOLBMAOB
SCHEMBL6998848 0.81 IDH1 (0.54) IDH1LMNAGAAPOLBMAOB
SCHEMBL15910022 0.79 LMNA (0.61) IDH1LMNAGAAPOLBMAOB
SCHEMBL15910031 0.79 IDH1 (0.50) IDH1LMNAGAAPOLBMAOB
SCHEMBL2115557 0.77 IDH1 (0.50) IDH1LMNAGAAPOLBMAOB
SCHEMBL338697 0.77 IDH1 (0.50) IDH1LMNAGAAPOLBMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IDH1 808/4885LMNA 2634/4885GAA 1367/4885

“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.