SCHEMBL5998722

SCHEMBL5998722

CCOC(=O)C(C(C)=O)C(=O)N1Cc2cccc(OC)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 4/20 0.40
ALOX15 P16050 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR2C P28335 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5998080 0.90 HTR2A (0.39) MAPK1USP2ALDH1A1KMT2AALOX15
SCHEMBL5998423 0.87 ALOX15 (0.41) MAPK1USP2ALDH1A1KMT2AALOX15
SCHEMBL5998128 0.86 ALOX15 (0.41) MAPK1USP2ALDH1A1KMT2AALOX15
SCHEMBL5997988 0.85 ALOX15 (0.40) ALDH1A1KMT2AALOX15MAPTMEN1
SCHEMBL6006612 0.80 KDM4E (0.50) ALDH1A1KMT2AALOX15MAPTMEN1
SCHEMBL5998668 0.79 ALDH1A1 (0.37) ALDH1A1KMT2AALOX15MEN1KDM4E
SCHEMBL5997296 0.77 CRBN (0.36) MAPK1USP2ALDH1A1KMT2AALOX15
SCHEMBL5998275 0.76 POLB (0.34) ALOX15KDM4ENPC1RAB9AHTR2C
SCHEMBL5995998 0.74 GABRG2 (0.39) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL5998370 0.74 SLC6A4 (0.34) MAPK1ALDH1A1KMT2AALOX15MAPT

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 MAPK1 2538/4885USP2 1514/4885ALDH1A1 216/4885

“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.