SCHEMBL3293554

SCHEMBL3293554

O=C(O)CC1=CCC2(CC1)OCCO2

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
RAB9A P51151 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTPN1 P18031 1/20 0.30

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
SCHEMBL8401988 0.79 ALOX15 (0.33) ALDH1A1
SCHEMBL12972229 0.75
SCHEMBL27181958 0.74 SMN1; SMN2 (0.33) IKBKETBK1NPC1MAPK1RAB9A
SCHEMBL27181960 0.74 SMN1; SMN2 (0.33) IKBKETBK1NPC1MAPK1RAB9A
SCHEMBL15548316 0.74 TSHR (0.36) IKBKETBK1MEN1NPC1MAPK1
SCHEMBL13325881 0.72 CALM1 (0.34) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL30984508 0.71
Boric Acid SCHEMBL22284324 0.70
SCHEMBL617047 0.69
SCHEMBL14779490 0.69 POLB (0.31)

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-RE41366-E1 Total synthesis of galanthamine, analogues and derivatives thereof CENTRE NATIONAL DEL LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-01 US claimed
EP-1458724-B1 TOTAL SYNTHESIS OF GALANTHAMINE, ANALOGUES AND DERIVATIVES THEREOF CENTRE NAT RECH SCIENT (FR) 2007-08-15 EP claimed
US-7109327-B2 Oxidizing agent mixed with a support starting from 8-methoxy-3,4,4a,8a-tetrahydro-spiro-chromen-2-one-[4,4']-cyclohex-2',5'-dien-1'-one to a spirodienone yields 1.6 (+-)-11-oxonarwedine or (+-)-6-methoxy-10-methyl-galantham-1-ene-3,11-dione; treating Alzheimer's disease CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-09-19 US claimed
US-20050065338-A1 Total synthesis of galanthamine, analogues and derivatives thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-03-24 US claimed
US-RE41366-E1 Total synthesis of galanthamine, analogues and derivatives thereof CENTRE NATIONAL DEL LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-01 US disclosed
US-RE41366-E1 Total synthesis of galanthamine, analogues and derivatives thereof CENTRE NATIONAL DEL LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-01 US disclosed
US-RE41366-E1 Total synthesis of galanthamine, analogues and derivatives thereof CENTRE NATIONAL DEL LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-01 US disclosed
EP-1458724-B1 TOTAL SYNTHESIS OF GALANTHAMINE, ANALOGUES AND DERIVATIVES THEREOF CENTRE NAT RECH SCIENT (FR) 2007-08-15 EP disclosed
EP-1458724-B1 TOTAL SYNTHESIS OF GALANTHAMINE, ANALOGUES AND DERIVATIVES THEREOF CENTRE NAT RECH SCIENT (FR) 2007-08-15 EP disclosed
US-7109327-B2 Oxidizing agent mixed with a support starting from 8-methoxy-3,4,4a,8a-tetrahydro-spiro-chromen-2-one-[4,4']-cyclohex-2',5'-dien-1'-one to a spirodienone yields 1.6 (+-)-11-oxonarwedine or (+-)-6-methoxy-10-methyl-galantham-1-ene-3,11-dione; treating Alzheimer's disease CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2006-09-19 US disclosed
US-20050065338-A1 Total synthesis of galanthamine, analogues and derivatives thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-03-24 US disclosed
EP-1458724-A1 TOTAL SYNTHESIS OF GALANTHAMINE, ANALOGUES AND DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-09-22 EP disclosed
WO-2002102803-A1 TOTAL SYNTHESIS OF GALANTHAMINE, ANALOGUES AND DERIVATIVES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2002-12-27 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-20050065338-A1 Total synthesis of galanthamine, analogues and derivatives thereof GALR1, GALR3, GALR2 IKBKE 4751/4885TBK1 4452/4885MEN1 2156/4885

“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.