SCHEMBL674177

SCHEMBL674177

C1CCC[N]CCCCCNCCC1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
CXCR4 P61073 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 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
SCHEMBL567977 0.97 ALDH1A1 (0.56) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL566326 0.94 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2
SCHEMBL675729 0.91 ALDH1A1 (0.50) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL175198 0.90
SCHEMBL7509079 0.89 ALDH1A1 (0.47) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL235202 0.86
SCHEMBL600790 0.83 CXCR4 (0.53) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL285073 0.81
SCHEMBL1779850 0.80 CXCR4 (0.50) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT
SCHEMBL1782168 0.80 CXCR4 (0.41) ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391211-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER Genzyme Corporation (US) 2011-12-07 EP disclosed
US-20110280827-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES HU YANPING (US) 2011-11-17 US disclosed
US-20110281814-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION 2011-11-17 US disclosed
EP-2384115-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES Genzyme Corporation (US) 2011-11-09 EP disclosed
WO-2010088401-A1 METHODS AND COMPOSITIONS FOR TREATING BREAST CANCER GENZYME CORPORATION (US) 2010-08-05 WO disclosed
WO-2010088398-A1 METHODS AND COMPOSITIONS FOR TREATING HEMATOLOGICAL MALIGNANCIES GENZYME CORPORATION (US) 2010-08-05 WO disclosed
US-20100178271-A1 Combination Therapy GENZYME CORPORATION (US) 2010-07-15 US disclosed
US-20100003224-A1 Combination Therapy GENZYME CORPORATION (US) 2010-01-07 US disclosed
EP-2068868-A2 COMBINATION THERAPY Genzyme Corporation (US) 2009-06-17 EP disclosed
EP-2056853-A1 COMBINATION THERAPY Genzyme Corporation (US) 2009-05-13 EP disclosed
WO-2008019371-A1 COMBINATION THERAPY GENZYME CORPORATION (US) 2008-02-14 WO disclosed
WO-2008017025-A2 COMBINATION THERAPY GENZYME CORPORATION (US) 2008-02-07 WO disclosed
EP-1796716-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2007-06-20 EP disclosed
US-20070043012-A1 Methods to enhance chemotherapy GENZYME CORPORATION 2007-02-22 US disclosed
WO-2006020891-A2 CHEMOKINE COMBINATIONS TO MOBILIZE PROGENITOR/STEM CELLS ANORMED INC. (CA) 2006-02-23 WO disclosed
US-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells ANORMED INC. 2006-02-16 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 (4 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-20060035829-A1 Chemokine combinations to mobilize progenitor/stem cells CXCL12, CXCR2, CXCR4 ALDH1A1 328/4885CXCR4 3/4885SMN1; SMN2 1674/4885
US-20070043012-A1 Methods to enhance chemotherapy CXCR4, MCL1, CXCL12 ALDH1A1 2257/4885CXCR4 1/4885SMN1; SMN2 2127/4885
US-20100178271-A1 Combination Therapy CXCL12, CSF3R, CXCR4 ALDH1A1 1587/4885CXCR4 3/4885SMN1; SMN2 2474/4885
US-20100003224-A1 Combination Therapy CXCL12, CXCR4, SDF4 ALDH1A1 703/4885CXCR4 2/4885SMN1; SMN2 1700/4885

“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.