SCHEMBL5997028

SCHEMBL5997028

CCOC(=O)[C@H](CN1C(=O)c2ccccc2C1=O)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 5/20 0.49
PIN1 Q13526 1/20 0.46
PIN4 Q9Y237 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5997717 1.00 KMT2A (0.49) KMT2AALDH1A1PIN1PIN4L3MBTL1
SCHEMBL5997034 1.00 KMT2A (0.49) KMT2AALDH1A1PIN1PIN4L3MBTL1
SCHEMBL5998685 0.88 ALDH1A1 (0.44) KMT2AALDH1A1PIN1PIN4MEN1
SCHEMBL5997722 0.88 ALDH1A1 (0.44) KMT2AALDH1A1PIN1PIN4MEN1
SCHEMBL5997726 0.88 ALDH1A1 (0.44) KMT2AALDH1A1PIN1PIN4MEN1
SCHEMBL29777966 0.87 ALDH1A1 (0.50) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL5998953 0.87 ALDH1A1 (0.50) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL7266878 0.87 ALDH1A1 (0.50) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL29740352 0.87 ALDH1A1 (0.50) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL5998957 0.87 ALDH1A1 (0.50) KMT2AALDH1A1MAPK1MAPTRAB9A

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 6 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
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-7091016-B2 Carbonyl reductase of Kluyveromyces marxianus and its isolation and purification method KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-15 US disclosed
US-20030170844-A1 Carbonyl reductase of kluyveromyces marxianus and its isolation and purification method KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-09-11 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 KMT2A 1280/4885ALDH1A1 216/4885PIN1 1143/4885

“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.