SCHEMBL16115496

SCHEMBL16115496

CC(C)=CC1=CC(=O)OC1OCCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL16135521 0.74
SCHEMBL16115775 0.68 PLA2G2A (0.34)
SCHEMBL17465181 0.67 KDM4E (0.31)
SCHEMBL16135522 0.65 UGT2B7 (0.38)
SCHEMBL16115428 0.65 NFE2L2 (0.52) NFE2L2
SCHEMBL19336678 0.63
SCHEMBL17465174 0.63
SCHEMBL8392577 0.62 NFE2L2 (0.35) NFE2L2
SCHEMBL14364127 0.61 HTT (0.35)
SCHEMBL16114912 0.61

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
EP-3216863-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-09-13 EP disclosed
EP-2978748-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2017-05-10 EP disclosed
EP-2978748-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN Pfizer Ireland Pharmaceuticals (IE) 2016-02-03 EP disclosed
US-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin PFIZER INC 2016-01-28 US disclosed
WO-2014155291-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF PREGABALIN PFIZER IRELAND PHARMACEUTICALS (IE) 2014-10-02 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-20160024540-A1 Process and Intermediates for the Preparation of Pregabalin GABRE, GABRG1, GABRG2 NFE2L2 3004/4885

“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.