SCHEMBL16795489

SCHEMBL16795489

C=C[C@@H]1CC(=O)C[C@@H](C)O1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL16795480 1.00 SMN1; SMN2 (0.34) SMN1; SMN2TDP1
SCHEMBL18902059 0.80 SMN1; SMN2 (0.37) SMN1; SMN2
SCHEMBL22198336 0.77 TDP1 (0.33) TDP1
SCHEMBL569096 0.77
SCHEMBL15772520 0.77
SCHEMBL622881 0.77
SCHEMBL614073 0.77
SCHEMBL15700748 0.69
SCHEMBL18432852 0.66
SCHEMBL21757763 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311806-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
US-20160311806-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
US-20160311806-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-10-27 US disclosed
EP-3080104-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS Bristol-Myers Squibb Company (US) 2016-10-19 EP disclosed
WO-2015088817-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 WO disclosed
WO-2015088817-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-06-18 WO 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-20160311806-A1 4,4'-BIPHENYLDIYL-BIS-(1 H-IMIDAZOLYL) DERIVATIVES AS HEPATITIS HCV INHIBITORS HAVCR2, FABP1, PYGL SMN1; SMN2 4536/4885TDP1 4488/4885

“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.