SCHEMBL789075

SCHEMBL789075

CC(C)(C)O[C@@H]1C[C@H]1OC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 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
SCHEMBL789026 1.00 PIM1 (0.31) PIM1
SCHEMBL25007729 0.80
Ammonia Solution, Strong SCHEMBL819487 0.80
Ammonia Solution, Strong SCHEMBL818770 0.80
SCHEMBL789549 0.79
SCHEMBL11930087 0.74 PIM1 (0.30) PIM1
SCHEMBL21049870 0.73 NPY1R (0.31)
SCHEMBL20995896 0.73
SCHEMBL11930081 0.70
SCHEMBL11930079 0.70 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (4 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD PIM1 1464/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD PIM1 1464/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD PIM1 1464/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD PIM1 1464/4885

“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.