SCHEMBL29896503

SCHEMBL29896503

CCOC(=O)C(C(=O)OCC)[C@@H](C[N+](=O)[O-])c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.45
HSP90AA1 P07900 2/20 0.45
HPGD P15428 2/20 0.45
NTSR1 P30989 1/20 0.45
SERPINH1 P50454 1/20 0.44
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL18106499 0.94 ALDH1A1 (0.50) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL29434418 0.89 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL18106707 0.89 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL14338544 0.89 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL18106496 0.89 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL28627991 0.87 ALDH1A1 (0.53) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL29896510 0.87 ALDH1A1 (0.53) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL29896664 0.86 LMNA (0.53) ALDH1A1CYP2C19LMNAMAPTALOX15
SCHEMBL2197894 0.85 ALDH1A1 (0.51) ALDH1A1CYP2C19LMNAMAPTHSP90AA1
SCHEMBL2199326 0.85 ALDH1A1 (0.51) ALDH1A1CYP2C19LMNAMAPTHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2022-10-11 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-11465135-B2 Bifunctional chiral organocatalytic compound having excellent enantioselectivity, preparation method therefor, and method for producing non-natural gamma-amino acid from nitro compound by using same NOTUM, ALDH7A1, AADAT ALDH1A1 612/4885CYP2C19 1312/4885LMNA 4555/4885

“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.