SCHEMBL5997115

SCHEMBL5997115

CCOC(=O)C(C(C)=O)C(=O)N1Cc2c(F)ccc(F)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 2/20 0.33
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 3/20 0.31
NOTUM Q6P988 1/20 0.31
MEN1 O00255 2/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
MDM2 Q00987 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL5998959 0.88 NOTUM (0.32) KMT2ANOTUMMEN1
SCHEMBL5998941 0.86 POLB (0.33) ALDH1A1POLBMAPTMAPK1NPSR1
SCHEMBL5997988 0.86 ALOX15 (0.40) ALDH1A1KMT2AKDM4EDPP8DPP9
SCHEMBL5998370 0.81 SLC6A4 (0.34) ALDH1A1KMT2AKDM4EPOLBMAPT
SCHEMBL5995998 0.77 GABRG2 (0.39) ALDH1A1KMT2AKDM4EDPP8DPP9
SCHEMBL5998423 0.76 ALOX15 (0.41) ALDH1A1KMT2AKDM4EMAPTMEN1
SCHEMBL5998128 0.75 ALOX15 (0.41) ALDH1A1KMT2AKDM4EPOLBMAPT
SCHEMBL5998275 0.74 POLB (0.34) KDM4EDPP8DPP9DPP7POLB
SCHEMBL5998722 0.74 MAPK1 (0.42) ALDH1A1KMT2AKDM4EPOLBMAPT
SCHEMBL5999183 0.73 NPSR1 (0.33) ALDH1A1KMT2ADPP8DPP9DPP7

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 216/4885KMT2A 1280/4885KDM4E 279/4885

“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.