SCHEMBL5245266

SCHEMBL5245266

COC(=O)C(C(=O)O)C(CC(C)C)C[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.51
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
MME P08473 2/20 0.37
FOLH1 Q04609 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL1116701 0.92 CPA1 (0.47) CPA1ALDH1A1CYP2C19LMNAMME
SCHEMBL14042757 0.92 CPA1 (0.47) CPA1ALDH1A1CYP2C19LMNAMME
SCHEMBL1409156 0.87 CPA1 (0.61) CPA1ALDH1A1LMNA
SCHEMBL4311209 0.86 CPA1 (0.54) CPA1ALDH1A1SMN1; SMN2
SCHEMBL4311206 0.86 CPA1 (0.54) CPA1ALDH1A1SMN1; SMN2
SCHEMBL12199163 0.82 CPA1 (0.47) CPA1ALDH1A1CYP2C19LMNAMME
SCHEMBL5245067 0.78 ZDHHC7 (0.43) CPA1ALDH1A1CYP2C19LMNA
SCHEMBL5163506 0.78 CPA1 (0.50) CPA1ALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL1427009 0.78 CPA1 (0.50) CPA1ALDH1A1CYP2C19LMNASMN1; SMN2
SCHEMBL13567330 0.76 CPA1 (0.52) CPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 US disclosed
EP-1758899-A1 ASYMMETRIC MICHAEL AND ALDOL ADDITION USING BIFUNCTIONAL CINCHONA-ALKALOID-BASED CATALYSTS Brandeis University (US) 2007-03-07 EP disclosed
US-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY 2006-01-19 US disclosed
WO-2005121137-A1 ASYMMETRIC MICHAEL AND ALDOL ADDITION USING BIFUNCTIONAL CINCHONA-ALKALOID-BASED CATALYSTS BRANDEIS UNIVERSITY (US) 2005-12-22 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-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts ALDH3A1, NQO1, DERA CPA1 475/4885ALDH1A1 13/4885CYP2C19 631/4885

“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.