SCHEMBL5997722

SCHEMBL5997722

CCOC(=O)[C@@H](CN1C(=O)c2cccc(C)c2C1=O)[C@@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 3/20 0.41
PIN1 Q13526 1/20 0.41
PIN4 Q9Y237 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PABPC1 P11940 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TYMS P04818 2/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL5998685 1.00 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5997726 1.00 ALDH1A1 (0.44) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5999165 0.90 KMT2A (0.41) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5999170 0.90 KMT2A (0.41) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5999168 0.90 KMT2A (0.41) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5999285 0.89 KMT2A (0.39) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5998236 0.89 KMT2A (0.39) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5998233 0.89 KMT2A (0.39) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5997034 0.88 KMT2A (0.49) ALDH1A1MAPTHSD17B10HTTKMT2A
SCHEMBL5997717 0.88 KMT2A (0.49) ALDH1A1MAPTHSD17B10HTTKMT2A

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 claimed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 US claimed

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 3262/4885HSD17B10 73/4885

“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.