SCHEMBL5998145

SCHEMBL5998145

COC(=O)C(CN1C(=O)C=C(c2ccccc2)C1=O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
GAA P10253 2/20 0.40
CCR6 P51684 2/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 2/20 0.40
CACNA1B Q00975 2/20 0.40
APBA1 Q02410 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 2/20 0.36
FOS P01100 1/20 0.36
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL5998931 0.89 RGS4 (0.46) RGS4DRD2DRD3MAPTALDH1A1
SCHEMBL5997204 0.81 FGFR1 (0.41) MAPTALDH1A1NPSR1HTTACHE
SCHEMBL5998196 0.79 DRD2 (0.42) RGS4DRD2DRD3MAPTALDH1A1
SCHEMBL5998010 0.76 ALDH1A1 (0.49) MAPTALDH1A1GAAKMT2A
SCHEMBL5998352 0.73 DRD2 (0.43) RGS4DRD2DRD3MAPTALDH1A1
SCHEMBL5998859 0.72 TNF (0.43) MAPTALDH1A1GAAKMT2AL3MBTL1
SCHEMBL5998659 0.72 RGS4 (0.40) RGS4DRD2DRD3MAPTALDH1A1
SCHEMBL11069254 0.71 CA12 (0.53) RGS4DRD2DRD3MAPTALDH1A1
SCHEMBL7857789 0.71 RGS4 (0.54) RGS4DRD2DRD3MAPTALDH1A1
SCHEMBL1535501 0.71 RGS4 (0.58) RGS4DRD2DRD3MAPTALDH1A1

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 RGS4 1488/4885DRD2 3742/4885DRD3 3191/4885

“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.