SCHEMBL5998428

SCHEMBL5998428

CCOC(=O)C(C(C)=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.41
MAPT P10636 10/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
MTOR P42345 1/20 0.37
GAA P10253 3/20 0.37
PPARG P37231 1/20 0.37
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL5998070 0.89 DPP7 (0.38) DPP7SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL5996628 0.85 ALDH1A1 (0.39) DPP7SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL5998686 0.83 GABRG2 (0.39) DPP7SMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL5998512 0.83 GABRG2 (0.39) MAPTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL5995998 0.83 GABRG2 (0.39) DPP7MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5998148 0.81 HDAC4 (0.35) MAPTSMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL6006612 0.80 KDM4E (0.50) MAPTSMN1; SMN2TDP1ALDH1A1KMT2A
SCHEMBL5998793 0.78 SLC6A2 (0.34) MAPTSMN1; SMN2MAPK1TDP1ALDH1A1
SCHEMBL5997427 0.74 MEN1 (0.34) DPP7MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL2144236 0.74 CA9 (0.46) MAPTSMN1; SMN2TDP1ALDH1A1KMT2A

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 DPP7 4062/4885MAPT 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.