SCHEMBL6991694

SCHEMBL6991694

Cc1cc(=O)c(O)c(C(C)O)o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.45
CYP3A4 P08684 2/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGS1 P23219 6/20 0.43
PTGS2 P35354 6/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BCL2 P10415 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
SCHEMBL8274787 0.86 IDH1 (0.46) IDH1CYP3A4GLAMEN1KMT2A
SCHEMBL6991564 0.80 IDH1 (0.45) IDH1CYP3A4GLAMEN1KMT2A
SCHEMBL15578472 0.79 IDH1 (0.44) IDH1CYP3A4GLAMEN1KMT2A
SCHEMBL2606810 0.79 IDH1 (0.41) IDH1CYP3A4GLAMEN1KMT2A
SCHEMBL2117322 0.79 IDH1 (0.41) IDH1CYP3A4GLAMEN1KMT2A
SCHEMBL2116130 0.78 GAA (0.39) GLAKDM4EHSD17B10POLBGAA
SCHEMBL9624730 0.78 IDH1 (0.43) IDH1CYP3A4GLAMEN1KMT2A
SCHEMBL18104674 0.73 PTGS2 (0.40) CYP3A4GLAMEN1KMT2APTGS1
SCHEMBL9626235 0.73 BCL2 (0.47) IDH1CYP3A4GLAMEN1KMT2A
SCHEMBL2590278 0.73 PTGS1 (0.50) CYP3A4GLAMEN1KMT2APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP claimed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 WO claimed
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
EP-0473764-A1 METAL COMPLEXES Hider, Robert Charles (GB) 1992-03-11 EP disclosed
WO-1991014664-A1 METAL COMPLEXES HIDER ROBERT CHARLES (GB) 1991-10-03 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 808/4885CYP3A4 277/4885GLA 2045/4885

“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.