SCHEMBL5998793

SCHEMBL5998793

CCOC(=O)C(C(C)=O)C(=O)N1Cc2cc(Cl)c(Cl)cc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CASP3 P42574 1/20 0.33
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OPRM1 P35372 1/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
PRF1 P14222 1/20 0.32

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
SCHEMBL5998512 0.86 GABRG2 (0.39) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL5996628 0.83 ALDH1A1 (0.39) CASP3HTTALDH1A1MEN1KMT2A
SCHEMBL5995998 0.81 GABRG2 (0.39) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL5998686 0.81 GABRG2 (0.39) CASP3HTTALDH1A1LMNAKDM4E
SCHEMBL6006612 0.81 KDM4E (0.50) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL5998148 0.80 HDAC4 (0.35) CASP3MAPTHTTALDH1A1MEN1
SCHEMBL5998428 0.78 DPP7 (0.41) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5998370 0.76 SLC6A4 (0.34) SLC6A2SLC6A4SLC6A3CASP3MAPT
SCHEMBL5998423 0.74 ALOX15 (0.41) MAPTMAPK1HTTALDH1A1MEN1
SCHEMBL5998128 0.73 ALOX15 (0.41) MAPTMAPK1HTTALDH1A1MEN1

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 SLC6A2 4848/4885SLC6A4 4674/4885SLC6A3 4798/4885

“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.