SCHEMBL6357438

SCHEMBL6357438

CCc1cc(CC)n(CO)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CRHR1 P34998 2/20 0.34
PDE4B Q07343 2/20 0.31
PDE3A Q14432 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 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
SCHEMBL3509106 0.86 HDAC3 (0.30) CA12CA1CA2CA9
SCHEMBL10193114 0.82 CA12 (0.40) CA12CA1CA2CA9CRHR1
SCHEMBL3507634 0.78 LMNA (0.41) CRHR1
SCHEMBL18198140 0.78 ADORA2A (0.41) CA12CA1CA2CA9CRHR1
SCHEMBL2587727 0.76 LMNA (0.49) CA12CA1CA2CA9CRHR1
SCHEMBL13169952 0.76 ALDH1A1 (0.37) CA12CA1CA2CA9CRHR1
SCHEMBL18198139 0.74 ADORA2A (0.38) CA12CA1CA2CA9PDE4B
SCHEMBL8225930 0.73 HPGD (0.40) CA12CA1CA2CA9PDE4B
SCHEMBL13870730 0.73 KMT2A (0.39) CA12CA1CA2CA9CRHR1
SCHEMBL16050183 0.72 HPGD (0.37) CA12CA1CA2CA9PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines MURPHY, MICHAEL A. 2005-04-21 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-20050085555-A1 Composition, synthesis and therapeutic applications of polyamines PRDX5, PINK1, ARG2 CA12 4712/4885CA1 4029/4885CA2 3834/4885

“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.