SCHEMBL5997284

SCHEMBL5997284

COC(=O)C(CN1C(=O)c2cccc(O)c2C1=O)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.43
ANPEP P15144 2/20 0.42
DPP4 P27487 2/20 0.42
PDE10A Q9Y233 1/20 0.39
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.37
RPS6KA2 Q15349 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PABPC1 P11940 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 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
SCHEMBL5998122 0.89 ANPEP (0.44) TNFANPEPDPP4PDE10AKMT2A
SCHEMBL5998663 0.88 KMT2A (0.42) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5998270 0.86 HDAC4 (0.42) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5998010 0.85 ALDH1A1 (0.49) KMT2AMEN1NPC1POLBMAPT
SCHEMBL5997994 0.82 ATM (0.52) TNFKMT2AMEN1POLBMAPT
SCHEMBL5998689 0.79 TNF (0.38) TNFANPEPDPP4PDE10AKMT2A
SCHEMBL5998462 0.79 PTGS2 (0.38) KMT2AMEN1RAB9APOLBMAPT
SCHEMBL5998418 0.78 ALDH1A1 (0.46) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL5998859 0.77 TNF (0.43) TNFKMT2AMEN1POLBMAPT
SCHEMBL5996069 0.77 TNF (0.40) TNFKMT2AMEN1RAB9APOLB

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 TNF 2425/4885ANPEP 4057/4885DPP4 3597/4885

“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.