SCHEMBL4635968

SCHEMBL4635968

CC1CCO1.O=C1C=CC(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CCR6 P51684 1/20 0.50
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
NR3C2 P08235 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CRBN Q96SW2 1/20 0.31
TERT O14746 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
HPGD P15428 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
Propylene Oxide SCHEMBL11351469 0.86 GSK3A (0.55) GSK3AGSK3BCCR6CA1CA9
SCHEMBL29010933 0.80 GSK3A (0.61) GSK3AGSK3BCCR6CRBNBRD4
SCHEMBL4636039 0.79 GSK3A (0.42) GSK3AGSK3BCCR6SMN1; SMN2ALDH1A1
SCHEMBL29010977 0.76 GSK3A (0.55) GSK3AGSK3BCCR6CA1CRBN
Oxirane SCHEMBL27501640 0.75 GSK3A (0.69) GSK3AGSK3BCCR6CA1CA9
Methylcyclopentane SCHEMBL29010800 0.74 GSK3A (0.52) GSK3AGSK3BCCR6CA1CRBN
Fluoride SCHEMBL38651953 0.74 GSK3A (0.92) GSK3AGSK3BCCR6ALDH1A1
SCHEMBL10606752 0.74
SCHEMBL4938638 0.73 GSK3A (0.50) GSK3AGSK3BCCR6CA1SMN1; SMN2
Trimethylammonium SCHEMBL28239820 0.72 GSK3A (0.73) GSK3AGSK3BCCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620488-B1 ADHESIVE COMPOSITIONS CONTAINING HYBRID OXETANE COMPOUNDS NAT STARCH CHEM INVEST (US) 2008-06-18 EP disclosed
US-7319132-B2 Polymer compounds containing oxetane and maleimide functionality NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2008-01-15 US disclosed
EP-1736473-A2 Oxetane compounds containing maleimide functionality National Starch and Chemical Investment Holding Corporation (US) 2006-12-27 EP disclosed
US-7034064-B2 Method of attaching a die to a substrate using a hybrid oxetane compound NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2006-04-25 US disclosed
EP-1620430-A1 OXETANE COMPOUNDS CONTAINING MALEIMIDE FUNCTIONALITY National Starch and Chemical Investment Holding Corporation (US) 2006-02-01 EP disclosed
EP-1620488-A1 ADHESIVE COMPOSITIONS CONTAINING HYBRID OXETANE COMPOUNDS National Starch and Chemical Investment Holding Corporation (US) 2006-02-01 EP disclosed
US-6982338-B2 Oxetane compounds containing maleimide functionality NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2006-01-03 US disclosed
US-20050209437-A1 Polymer compounds containing oxetane and maleimide functionality NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2005-09-22 US disclosed
WO-2004101550-A1 OXETANE COMPOUNDS CONTAINING MALEIMIDE FUNCTIONALITY NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2004-11-25 WO disclosed
WO-2004101646-A1 ADHESIVE COMPOSITIONS CONTAINING HYBRID OXETANE COMPOUNDS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 2004-11-25 WO disclosed
US-20040225074-A1 Adhesive compositions containing hybrid oxetane compounds HENKEL AG & CO. KGAA (DE) 2004-11-11 US disclosed
US-20040225070-A1 Oxetane compounds containing maleimide functionality HENKEL AG & CO. KGAA (DE) 2004-11-11 US 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-20040225070-A1 Oxetane compounds containing maleimide functionality OXGR1, DUOX2, JMJD6 GSK3A 4641/4885GSK3B 4573/4885CCR6 3222/4885

“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.