SCHEMBL4636039

SCHEMBL4636039

CCC1CCO1.O=C1C=CC(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CCR6 P51684 1/20 0.42
EPHX1 P07099 1/20 0.34
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALPG P10696 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAOA P21397 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4635968 0.79 GSK3A (0.50) GSK3AGSK3BCCR6SMN1; SMN2ALDH1A1
SCHEMBL11965744 0.76
SCHEMBL1313262 0.76
SCHEMBL18011906 0.76
Water SCHEMBL28081772 0.73
Ammonia Solution, Strong SCHEMBL11735135 0.73
SCHEMBL7606220 0.72 EPHX1 (0.33) EPHX1TSHRHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL7609948 0.72 EPHX1 (0.33) EPHX1TSHRHSD17B10SMN1; SMN2ALDH1A1
Propane SCHEMBL28392088 0.71 GSK3A (0.73) GSK3AGSK3BCCR6CYP2C19ALDH1A1
Propane SCHEMBL28032534 0.71 GSK3A (0.73) GSK3AGSK3BCCR6CYP2C19ALDH1A1

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-20040225070-A1 Oxetane compounds containing maleimide functionality HENKEL AG & CO. KGAA (DE) 2004-11-11 US disclosed
US-20040225074-A1 Adhesive compositions containing hybrid oxetane compounds 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.