SCHEMBL5405677

SCHEMBL5405677

COC(=O)C(C(=O)O)C(C[N+](=O)[O-])c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 3/20 0.56
TSHR P16473 1/20 0.39
SERPINH1 P50454 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 1/20 0.36
CYP3A4 P08684 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
SCHEMBL4865124 0.93 ALDH1A1 (0.66) ALDH1A1CYP2C19LMNATSHRSERPINH1
SCHEMBL5399073 0.88 ALDH1A1 (0.60) ALDH1A1CYP2C19LMNAKMT2AL3MBTL1
SCHEMBL5398966 0.88 ALDH1A1 (0.60) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL5243446 0.88 ALDH1A1 (0.59) ALDH1A1CYP2C19LMNAKMT2ACYP3A4
SCHEMBL28732491 0.87 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNASERPINH1MEN1
SCHEMBL5401473 0.87 ALDH1A1 (0.62) ALDH1A1CYP2C19LMNASERPINH1KMT2A
SCHEMBL5244764 0.87 ALDH1A1 (0.58) ALDH1A1CYP2C19LMNAMEN1POLB
SCHEMBL5414252 0.87 ALDH1A1 (0.58) ALDH1A1CYP2C19LMNAMEN1KMT2A
SCHEMBL29434423 0.82 ALDH1A1 (0.65) ALDH1A1CYP2C19LMNAKMT2ACYP3A4
SCHEMBL16785484 0.82 ALDH1A1 (0.65) ALDH1A1CYP2C19LMNAKMT2ACYP3A4

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 3 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
US-20060014956-A1 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY 2006-01-19 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 EP 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 ALDH1A1 13/4885CYP2C19 631/4885LMNA 267/4885

“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.