SCHEMBL5998056

SCHEMBL5998056

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
PTPN1 P18031 2/20 0.42
MMP8 P22894 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIN1 Q13526 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39

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
SCHEMBL5997204 0.87 FGFR1 (0.41) MAPTL3MBTL1NR1H2NR1H3ALDH1A1
SCHEMBL5998387 0.84 ALDH1A1 (0.49) MAPTL3MBTL1PIN1ALDH1A1MEN1
SCHEMBL5998931 0.82 RGS4 (0.46) TDP1PTPN1MMP8MAPTL3MBTL1
SCHEMBL5998838 0.78 ALDH1A1 (0.38) PTPN1MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL5998414 0.77 MEN1 (0.43) MAPTL3MBTL1PIN1ALDH1A1NPSR1
SCHEMBL5997105 0.76 KMT2A (0.40) TDP1MMP8MAPTPIN1ALDH1A1
SCHEMBL5998367 0.76 PIN1 (0.42) TDP1MAPTPIN1ALDH1A1MEN1
SCHEMBL5998418 0.76 ALDH1A1 (0.46) TDP1MAPTPIN1ALDH1A1MEN1
SCHEMBL5996615 0.74 PIN1 (0.47) L3MBTL1PIN1ALDH1A1MEN1NPC1
SCHEMBL5998122 0.74 ANPEP (0.44) MAPTL3MBTL1PIN1ALDH1A1MEN1

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 TDP1 3775/4885PTPN1 4172/4885MMP8 2981/4885

“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.