SCHEMBL5998700

SCHEMBL5998700

COC(=O)C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C1(C)OCCO1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 2/20 0.42
TNF P01375 1/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5998754 0.91 MAPT (0.46) ALDH1A1ATML3MBTL1MAPTMEN1
SCHEMBL5998133 0.86 KMT2A (0.37) ALDH1A1MAPTMEN1KMT2A
SCHEMBL5998689 0.85 TNF (0.38) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL5997690 0.84 HPGD (0.38) ALDH1A1MEN1KMT2AMAPK1
SCHEMBL5997994 0.81 ATM (0.52) ALDH1A1ATML3MBTL1MAPTMEN1
SCHEMBL5997578 0.81 PKM (0.47) ALDH1A1L3MBTL1MEN1KMT2ATNF
SCHEMBL5997892 0.78 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL5997107 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL5997311 0.77 MMP1 (0.38) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5998415 0.77 ACHE (0.31) MEN1KMT2A

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 216/4885ATM 3186/4885L3MBTL1 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.