SCHEMBL5997974

SCHEMBL5997974

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 4/20 0.40
ATM Q13315 1/20 0.40
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NPC1 O15118 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
SCHEMBL5998270 0.89 HDAC4 (0.42) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL5998418 0.89 ALDH1A1 (0.46) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL5997105 0.87 KMT2A (0.40) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL5998122 0.86 ANPEP (0.44) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL5999178 0.86 NPSR1 (0.45) ALDH1A1KMT2AMEN1HPGDTSHR
SCHEMBL5998719 0.84 ALDH1A1 (0.44) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL5998387 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL5998072 0.83 TTR (0.40) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL5998236 0.83 KMT2A (0.39) ALDH1A1MAPTHTTHSD17B10KMT2A
SCHEMBL5998233 0.83 KMT2A (0.39) ALDH1A1MAPTHTTHSD17B10KMT2A

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 3262/4885HTT 4876/4885

“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.