SCHEMBL5998719

SCHEMBL5998719

CCOC(=O)C(CN1C(=O)c2cccc(OC)c2C1=O)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 3/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PIN1 Q13526 1/20 0.39
PIN4 Q9Y237 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ELANE P08246 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5998072 0.89 TTR (0.40) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5998418 0.88 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL5998122 0.85 ANPEP (0.44) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL5997974 0.84 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5996046 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5999281 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5996049 0.84 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL5998387 0.83 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL5997917 0.81 MAPT (0.49) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL5998663 0.80 KMT2A (0.42) ALDH1A1MAPTKMT2AMEN1NPC1

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 216/4885MAPT 3262/4885KMT2A 1280/4885

“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.