SCHEMBL13612892

SCHEMBL13612892

CCC(C)C(C)N(CC)CC

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
FDPS P14324 1/20 0.31
TSHR P16473 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
SCHEMBL18602945 1.00 PGR (0.31) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL19696782 0.84 FDPS (0.33) FDPS
SCHEMBL2567591 0.79 FDPS (0.36) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2564580 0.79 PGR (0.30) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL23950126 0.75 PGR (0.31) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13266482 0.75 FDPS (0.31) FDPSTSHR
SCHEMBL10284280 0.73 FDPS (0.33) FDPS
SCHEMBL25806850 0.73 FDPS (0.33) FDPS
SCHEMBL13417347 0.73 FDPS (0.33) FDPS
SCHEMBL13284221 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844040-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND TRANSPARENT ELECTRODE MANUFACTURING METHOD Konica Minolta, Inc. (JP) 2015-03-04 EP disclosed
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 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-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4B, PDE4A, PDE12 PGR 1783/4885ADRA2A 114/4885ADRA2B 41/4885

“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.