SCHEMBL5997922

SCHEMBL5997922

CCOC(=O)C(C(C)=O)C(=O)N1Cc2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CACNA1C Q13936 3/20 0.36
CACNA1F O60840 2/20 0.36
CACNA1D Q01668 2/20 0.36
CACNA1S Q13698 2/20 0.36
ACHE P22303 1/20 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
SCHEMBL5998003 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5998423 0.85 ALOX15 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5998128 0.84 ALOX15 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5997988 0.83 ALOX15 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5998080 0.81 HTR2A (0.39) ALDH1A1MEN1KMT2AALOX15GAA
SCHEMBL6006612 0.78 KDM4E (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5998428 0.77 DPP7 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5998668 0.74 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AALOX15
SCHEMBL5997296 0.72 CRBN (0.36) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL31303339 0.72 TAS1R3 (0.40) ALDH1A1MAPTMEN1KMT2ATAS1R3

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-7094908-B2 Reduction of carbonyl compounds using the carbonyl reductase of Kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-22 US disclosed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 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-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus CBR1, CBR3, DCXR ALDH1A1 216/4885MAPT 3262/4885SMN1; SMN2 4419/4885

“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.