SCHEMBL4865124

SCHEMBL4865124

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.41
SERPINH1 P50454 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
GAA P10253 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
SCHEMBL5405677 0.93 ALDH1A1 (0.58) ALDH1A1CYP2C19LMNATSHRSERPINH1
SCHEMBL14338543 0.87 ALDH1A1 (0.67) ALDH1A1CYP2C19LMNAL3MBTL1MAPT
SCHEMBL14338545 0.87 ALDH1A1 (0.67) ALDH1A1CYP2C19LMNAL3MBTL1MAPT
SCHEMBL14338542 0.86 ALDH1A1 (0.66) ALDH1A1CYP2C19LMNAMAPTMEN1
SCHEMBL14338541 0.86 ALDH1A1 (0.66) ALDH1A1CYP2C19LMNAL3MBTL1MAPT
SCHEMBL14338544 0.86 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1L3MBTL1
SCHEMBL18106496 0.86 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1L3MBTL1
SCHEMBL18106707 0.86 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1L3MBTL1
SCHEMBL29434418 0.86 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1L3MBTL1
SCHEMBL16785484 0.85 ALDH1A1 (0.65) ALDH1A1CYP2C19LMNAKMT2A

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
CN-114369090-A Mesoionic compound and preparation method and application thereof 东莞市东阳光农药研发有限公司 2022-04-19 CN disclosed
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 US disclosed
US-7312335-B2 Asymmetric Michael and Aldol additions using bifunctional cinchona-alkaloid-based catalysts BRANDEIS UNIVERSITY (US) 2007-12-25 US disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 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 (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-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 ALDH1A1 1008/4885CYP2C19 98/4885LMNA 1251/4885

“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.