SCHEMBL6998531

SCHEMBL6998531

CCn1ccc(=O)c(OCc2ccccc2)c1COC

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
HPGD P15428 1/20 0.58
NPC1 O15118 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPK14 Q16539 7/20 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
SCHEMBL16939046 0.89 HTT (0.60) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL10404509 0.82 HTT (0.79) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30887393 0.80 HTT (0.71) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL29062597 0.78 HTT (0.58) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30887389 0.78 HTT (0.58) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL12949684 0.78 SMN1; SMN2 (0.54) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL6993396 0.78 HTT (0.54) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL7545464 0.76 SMN1; SMN2 (0.43) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL30580527 0.76 HTT (0.55) HTTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL8663227 0.76 HTT (0.55) HTTSMN1; SMN2MEN1ALDH1A1KMT2A

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 HTT 551/4885SMN1; SMN2 3186/4885MEN1 3657/4885

“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.