SCHEMBL5998080

SCHEMBL5998080

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.39
DRD2 P14416 4/20 0.39
ALOX15 P16050 1/20 0.39
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 3/20 0.35
DRD1 P21728 4/20 0.34
KMT2A Q03164 2/20 0.34
HTR1A P08908 1/20 0.33
TTR P02766 1/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
NR1I2 O75469 1/20 0.32
UGCG Q16739 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
SCHEMBL5998722 0.90 MAPK1 (0.42) ALOX15KDM4ENPC1RAB9AMAPK1
SCHEMBL5998423 0.86 ALOX15 (0.41) ALOX15KDM4ENPC1RAB9AHSD17B10
SCHEMBL5998128 0.85 ALOX15 (0.41) ALOX15KDM4ERAB9AMAPK1USP2
SCHEMBL5997988 0.84 ALOX15 (0.40) ALOX15KDM4EALDH1A1KMT2AMEN1
SCHEMBL6006612 0.79 KDM4E (0.50) ALOX15KDM4ENPC1RAB9AHSD17B10
SCHEMBL5998668 0.76 ALDH1A1 (0.37) ALOX15KDM4ENPC1RAB9AHSD17B10
SCHEMBL5997296 0.74 CRBN (0.36) ALOX15KDM4ENPC1RAB9AHSD17B10
SCHEMBL5995998 0.73 GABRG2 (0.39) KDM4EALDH1A1KMT2AMEN1
SCHEMBL5998275 0.73 POLB (0.34) ALOX15KDM4ENPC1RAB9AHSD17B10
SCHEMBL5998370 0.73 SLC6A4 (0.34) ALOX15KDM4EMAPK1ALDH1A1KMT2A

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 HTR2A 4634/4885DRD2 3742/4885ALOX15 1342/4885

“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.