SCHEMBL5997710

SCHEMBL5997710

CCOC(=O)C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)C1(C)OCCO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RPS6KA2 Q15349 1/20 0.45
PKM P14618 1/20 0.42
ACHE P22303 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ALOX5 P09917 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
GSK3B P49841 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL5997578 0.91 PKM (0.47) ALDH1A1KDM4EL3MBTL1RPS6KA2PKM
SCHEMBL5997985 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2AMEN1SMN1; SMN2
SCHEMBL5997630 0.85 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1KMT2AMEN1
SCHEMBL5998692 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2AMEN1ALOX5
SCHEMBL5996844 0.85 GABRA1 (0.39) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5998501 0.83 CA9 (0.38) ALDH1A1L3MBTL1KMT2AMEN1MAPK1
SCHEMBL5998695 0.82 PIN1 (0.36) ALDH1A1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL5998421 0.82 RPS6KA2 (0.50) ALDH1A1KDM4EL3MBTL1RPS6KA2PKM
SCHEMBL5998754 0.82 MAPT (0.46) ALDH1A1L3MBTL1KMT2AMEN1MAPT
SCHEMBL5997126 0.78 NPC1 (0.41) ALDH1A1KDM4EL3MBTL1KMT2AMEN1

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 216/4885KDM4E 279/4885L3MBTL1 3637/4885

“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.