SCHEMBL13712901

SCHEMBL13712901

CCC(C)P(=O)(OC1CCCC1)OC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.37
TRPM8 Q7Z2W7 6/20 0.36
EPHX1 P07099 1/20 0.32
SHBG P04278 1/20 0.31
NAAA Q02083 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
SCHEMBL13711672 0.79 NPSR1 (0.50) NPSR1MEN1KMT2AACHEGAA
SCHEMBL28982526 0.77 NPSR1 (0.43) NPSR1MEN1KMT2AACHEGAA
SCHEMBL28982525 0.75 NPSR1 (0.51) NPSR1MEN1KMT2AACHEGAA
SCHEMBL12076280 0.73 NPSR1 (0.58) NPSR1MEN1KMT2AACHEGAA
SCHEMBL575575 0.72 ACHE (0.50) NPSR1MEN1KMT2AACHEGAA
SCHEMBL9614631 0.72 ACHE (0.43) NPSR1MEN1KMT2AACHEGAA
SCHEMBL28674351 0.71 NPSR1 (0.41) NPSR1MEN1KMT2AACHEGAA
SCHEMBL9614558 0.70 NPSR1 (0.45) NPSR1MEN1KMT2AACHEGAA
SCHEMBL575443 0.70 ACHE (0.47) NPSR1MEN1KMT2AACHEGAA
SCHEMBL3072638 0.69 ACHE (0.43) NPSR1MEN1KMT2AACHEGAA

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
US-7582605-B2 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2008-02-14 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-20080039375-A1 Phosphorus-containing hepatitis C serine protease inhibitors PRSS1, PPP4C, G6PC1 NPSR1 1576/4885MEN1 3727/4885KMT2A 3340/4885

“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.