SCHEMBL6716505

SCHEMBL6716505

CCCCC(CCCCC(C)CC)[C](C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.43
MAPK1 P28482 1/20 0.43
CA1 P00915 6/20 0.42
ACE2 Q9BYF1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 1/20 0.34
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
SLC1A3 P43003 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL9780067 0.83 CA2 (0.50) CA2MAPK1CA1ALDH1A1SLC1A2
SCHEMBL31521557 0.81 LMNA (0.48) CA2MAPK1CA1ACE2ALDH1A1
SCHEMBL55575 0.81
SCHEMBL6162852 0.81
SCHEMBL15141786 0.81
SCHEMBL2152864 0.79 CA2 (0.58) CA2MAPK1CA1ALDH1A1SLC1A2
Hypochlorous Acid SCHEMBL11408591 0.79 ALDH1A1 (0.44) CA2MAPK1CA1ACE2ALDH1A1
SCHEMBL6064437 0.79 ACE2 (0.50) CA2ACE2ALDH1A1OPRM1SPHK1
SCHEMBL6526315 0.79 ACE2 (0.50) CA2ACE2ALDH1A1OPRM1SPHK1
SCHEMBL19409983 0.79 CA2 (0.52) CA2OPRM1SLC1A2SLC1A1SPHK1

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-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-16 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 (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-20040180947-A1 hypoglycemic activity or phoshodiesterase-V inhibitory activity; prophylaxis and treatment of impaired glucose tolerance disorder, diabetes (e.g., type II diabetes), diabetic complications PDE2A, PDE3A, PYGM CA2 165/4885MAPK1 1425/4885CA1 2284/4885

“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.