SCHEMBL1402174

SCHEMBL1402174

O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.OCC(CO)(CO)CO

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.58
GSK3B P49841 1/20 0.58
CCR6 P51684 1/20 0.58

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
SCHEMBL28132939 1.00 GSK3A (0.58) GSK3AGSK3BCCR6
Acetic Acid SCHEMBL28472906 0.89 GSK3A (0.46) GSK3AGSK3BCCR6
Acetic Acid SCHEMBL28899322 0.89 GSK3A (0.46) GSK3AGSK3BCCR6
Acetic Acid SCHEMBL28462827 0.89 GSK3A (0.46) GSK3AGSK3BCCR6
SCHEMBL28099296 0.86 GSK3A (0.48) GSK3AGSK3BCCR6
Ethylene Glycol SCHEMBL169532 0.80 GSK3A (0.69) GSK3AGSK3BCCR6
Tromethamine SCHEMBL10712356 0.80 GSK3A (0.52) GSK3AGSK3BCCR6
Alcohol SCHEMBL4116686 0.78 GSK3A (0.65) GSK3AGSK3BCCR6
SCHEMBL10990 0.76
SCHEMBL33524954 0.76

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
EP-2292657-A1 Reduced side-effect hemoglobin compositions Baxter Biotech Technology S.A.R.L. (CH) 2011-03-09 EP disclosed
US-7211560-B2 Reduced side-effect hemoglobin compositions BAXTER INTERNATIONAL, INC. (US) 2007-05-01 US disclosed
US-20040259769-A1 Reduced side-effect hemoglobin compositions BAXTER INTERNATIONAL INC. 2004-12-23 US disclosed
US-6670323-B1 Hemoglobulin mutations for oxygen delivery BAXTER INTERNATIONAL, INC. 2003-12-30 US disclosed
EP-1233986-A4 REDUCED SIDE-EFFECT HEMOGLOBIN COMPOSITIONS BAXTER BIOTECH TECH SARL (CH) 2003-01-02 EP disclosed
EP-1233986-A1 REDUCED SIDE-EFFECT HEMOGLOBIN COMPOSITIONS Baxter Biotech Technology S.A.R.L. (CH) 2002-08-28 EP disclosed
WO-2001034648-A1 REDUCED SIDE-EFFECT HEMOGLOBIN COMPOSITIONS BAXTER INTERNATIONAL, INC. (US) 2001-05-17 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-20040259769-A1 Reduced side-effect hemoglobin compositions HBG1, HBB, HBG2 GSK3A 1197/4885GSK3B 1227/4885CCR6 265/4885

“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.