SCHEMBL5998233

SCHEMBL5998233

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PIN1 Q13526 1/20 0.39
PIN4 Q9Y237 1/20 0.39
TRPA1 O75762 1/20 0.38
GRM1 Q13255 3/20 0.38
GRM4 Q14833 3/20 0.38
HPGD P15428 2/20 0.38
GRM7 Q14831 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL5998236 1.00 KMT2A (0.39) KMT2AALDH1A1MAPTHTTHSD17B10
SCHEMBL5999285 1.00 KMT2A (0.39) KMT2AALDH1A1MAPTHTTHSD17B10
SCHEMBL5996224 0.89 HDAC4 (0.41) KMT2AALDH1A1TRPA1GRM1GRM4
SCHEMBL5997611 0.89 HDAC4 (0.41) KMT2AALDH1A1TRPA1GRM1GRM4
SCHEMBL5996228 0.89 HDAC4 (0.41) KMT2AALDH1A1TRPA1GRM1GRM4
SCHEMBL5998685 0.89 ALDH1A1 (0.44) KMT2AALDH1A1MAPTHTTHSD17B10
SCHEMBL5997722 0.89 ALDH1A1 (0.44) KMT2AALDH1A1MAPTHTTHSD17B10
SCHEMBL5997726 0.89 ALDH1A1 (0.44) KMT2AALDH1A1MAPTHTTHSD17B10
SCHEMBL5997837 0.88 PIN1 (0.38) KMT2AALDH1A1MAPTHTTHSD17B10
SCHEMBL5996106 0.88 PIN1 (0.38) KMT2AALDH1A1MAPTHTTHSD17B10

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 KMT2A 1280/4885ALDH1A1 216/4885MAPT 3262/4885

“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.