SCHEMBL5997611

SCHEMBL5997611

COC(=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
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KMT2A Q03164 5/20 0.39
TRPA1 O75762 1/20 0.39
GRM1 Q13255 5/20 0.39
GRM4 Q14833 4/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
GRM7 Q14831 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 3/20 0.37
NPC1 O15118 2/20 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
SCHEMBL5996224 1.00 HDAC4 (0.41) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL5996228 1.00 HDAC4 (0.41) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL5998233 0.89 KMT2A (0.39) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL5998236 0.89 KMT2A (0.39) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL5999285 0.89 KMT2A (0.39) HDAC4HDAC1HDAC7HDAC8HDAC6
SCHEMBL5999170 0.88 KMT2A (0.41) KMT2ARAB9AALDH1A1KDM4EMEN1
SCHEMBL5999165 0.88 KMT2A (0.41) KMT2ARAB9AALDH1A1KDM4EMEN1
SCHEMBL5999168 0.88 KMT2A (0.41) KMT2ARAB9AALDH1A1KDM4EMEN1
SCHEMBL5998716 0.87 KMT2A (0.33) KMT2ATRPA1HPGDTSHRRAB9A
SCHEMBL5998703 0.87 KMT2A (0.33) KMT2ATRPA1HPGDTSHRRAB9A

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 HDAC4 722/4885HDAC1 382/4885HDAC7 983/4885

“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.