SCHEMBL16684455

SCHEMBL16684455

COc1ccc(C(C[N+](=O)[O-])C(C(C)=O)C(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 2/20 0.51
SERPINH1 P50454 1/20 0.47
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
HSP90AA1 P07900 2/20 0.45
NTSR1 P30989 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 3/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4126054 1.00 ALDH1A1 (0.53) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL28879214 0.88 ALDH1A1 (0.53) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL20398775 0.88 ALDH1A1 (0.53) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL29434418 0.87 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL14338544 0.87 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL18106496 0.87 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL18106707 0.87 ALDH1A1 (0.70) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL29896503 0.85 ALDH1A1 (0.56) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL5401473 0.83 ALDH1A1 (0.62) ALDH1A1CYP2C19LMNASERPINH1MAPT
SCHEMBL219605 0.83 L3MBTL1 (0.50) ALDH1A1CYP2C19LMNASERPINH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035075-B1 Catalyst for organic reaction and method of use thereof Research & Business Foundation Sungkyunkwan University (KR) 2015-05-19 US disclosed
US-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF Research & Business Foundation Sungkyunkwan University (KR) 2015-04-30 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-20150119583-A1 CATALYST FOR ORGANIC REACTION AND METHOD OF USE THEREOF SCO2, OGDH, AOC2 ALDH1A1 2622/4885CYP2C19 269/4885LMNA 1954/4885

“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.