SCHEMBL1751053

SCHEMBL1751053

NC1CCC(CNC=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 2/20 0.61
ADH1C P00326 2/20 0.61
ADH1A P07327 2/20 0.61
ADH7 P40394 2/20 0.61
ADH4 P08319 1/20 0.61
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.33
F2 P00734 2/20 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
SCHEMBL207500 0.88
SCHEMBL8890631 0.82 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL1608989 0.80
SCHEMBL304641 0.78
SCHEMBL23697411 0.77 ADH1B (0.75) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8901149 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL26876586 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL12967867 0.77 ADH1B (0.61) ADH1BADH1CADH1AADH7ADH4
SCHEMBL8952019 0.76 ADH1A (1.00) ADH1BADH1CADH1AADH7ADH4
SCHEMBL303776 0.76 ADH1A (1.00) ADH1BADH1CADH1AADH7ADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP claimed
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2007-09-27 US claimed
EP-1713806-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-10-25 EP claimed
WO-2005107760-A1 COMPOUNDS AND COMPOSITIONS AS INDUCERS OF KERATINOCYTE DIFFERENTIATION IRM LLC (BM) 2005-11-17 WO claimed
WO-2005080393-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-09-01 WO claimed
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP disclosed
US-7968557-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs NOVARTIS AG (CH) 2011-06-28 US disclosed
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2007-09-27 US disclosed
EP-1713806-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005107760-A1 COMPOUNDS AND COMPOSITIONS AS INDUCERS OF KERATINOCYTE DIFFERENTIATION IRM LLC (BM) 2005-11-17 WO disclosed
WO-2005080393-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-09-01 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-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors ABL1, PDGFRA, PDGFRB ADH1B 4876/4885ADH1C 4650/4885ADH1A 4869/4885

“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.