SCHEMBL5998686

SCHEMBL5998686

CCOC(=O)C(C(C)=O)C(=O)N1Cc2ccc(Br)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.39
GABRB3 P28472 6/20 0.39
GABRA5 P31644 6/20 0.39
GABRA1 P14867 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRA6 Q16445 3/20 0.39
SMAD3 P84022 2/20 0.38
APAF1 O14727 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
KDM1A O60341 1/20 0.36
HSD17B3 P37058 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.35
CUL4A Q13619 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
SCHEMBL5998282 0.88 HSD17B3 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5996628 0.88 ALDH1A1 (0.39) GABRG2GABRB3GABRA5ALDH1A1DPP8
SCHEMBL5995998 0.86 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5998512 0.86 GABRG2 (0.39) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5998148 0.84 HDAC4 (0.35) ALDH1A1KDM4EHTTSMN1; SMN2CASP3
SCHEMBL6006612 0.83 KDM4E (0.50) ALDH1A1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL5998428 0.83 DPP7 (0.41) ALDH1A1DPP7KDM4ESMN1; SMN2LMNA
SCHEMBL5998793 0.81 SLC6A2 (0.34) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5997427 0.78 MEN1 (0.34) ALDH1A1DPP8DPP9DPP7HSD17B3
SCHEMBL5998423 0.74 ALOX15 (0.41) ALDH1A1KDM4EHTTSMN1; SMN2LMNA

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 GABRG2 1543/4885GABRB3 1206/4885GABRA5 2240/4885

“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.