SCHEMBL5997917

SCHEMBL5997917

CCOC(=O)C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 4/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CA4 P22748 1/20 0.44

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
SCHEMBL5997994 0.90 ATM (0.52) MAPTALDH1A1ATMTDP1LMNA
SCHEMBL5998418 0.85 ALDH1A1 (0.46) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL5998122 0.82 ANPEP (0.44) MAPTALDH1A1CA1CA2CA9
SCHEMBL5998754 0.82 MAPT (0.46) MAPTALDH1A1ATMTDP1LMNA
SCHEMBL5997974 0.81 ALDH1A1 (0.41) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL5998719 0.81 ALDH1A1 (0.44) MAPTALDH1A1TDP1CA1CA2
SCHEMBL5998387 0.80 ALDH1A1 (0.49) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5998072 0.80 TTR (0.40) MAPTALDH1A1TDP1LMNAMEN1
SCHEMBL29217854 0.78 CA1 (0.55) MAPTALDH1A1ATMTDP1LMNA
SCHEMBL2283350 0.77 LMNA (0.51) MAPTALDH1A1ATMTDP1LMNA

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 MAPT 3262/4885ALDH1A1 216/4885ATM 3186/4885

“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.