SCHEMBL5998065

SCHEMBL5998065

COC(=O)C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 2/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.50
TNF P01375 1/20 0.48
RPS6KA2 Q15349 1/20 0.48
ACHE P22303 1/20 0.46

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
SCHEMBL5998421 0.89 RPS6KA2 (0.50) ALOX5ALDH1A1KMT2APKMKDM4E
SCHEMBL5997578 0.82 PKM (0.47) ALOX5ALDH1A1KMT2APKMKDM4E
SCHEMBL5997416 0.81 NPC1 (0.46) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL5998188 0.80 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL5998277 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL5997021 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EL3MBTL1MEN1
SCHEMBL5998010 0.79 ALDH1A1 (0.49) ALDH1A1KMT2APKMMEN1
SCHEMBL14876485 0.79 ALOX5 (0.56) ALOX5ALDH1A1KMT2APKMKDM4E
SCHEMBL5998841 0.78 TNF (0.47) ALDH1A1L3MBTL1TNF
SCHEMBL15494462 0.78 ALOX5 (0.58) ALOX5ALDH1A1KMT2AKDM4EL3MBTL1

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 ALOX5 1211/4885ALDH1A1 216/4885KMT2A 1280/4885

“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.