SCHEMBL5998489

SCHEMBL5998489

CCOC(=O)C(CN1C(=O)C2=C(CCCC2)C1=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
LMNA P02545 5/20 0.36
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 3/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIN1 Q13526 1/20 0.35
PIN4 Q9Y237 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL5998311 0.86 KDM4E (0.36) ALDH1A1LMNAMAPTKDM4E
SCHEMBL5998103 0.77 ALDH1A1 (0.33) ALDH1A1LMNACYP2D6NPSR1MAPT
SCHEMBL5998387 0.76 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL5997105 0.74 KMT2A (0.40) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5998367 0.74 PIN1 (0.42) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL5998787 0.74 PIN1 (0.42) ALDH1A1KMT2AMAPTMAPK1MEN1
SCHEMBL5998418 0.73 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTMEN1TDP1
SCHEMBL5998056 0.72 TDP1 (0.43) ALDH1A1KMT2ANPSR1MAPTMEN1
SCHEMBL5570690 0.72 KMT2A (0.39) ALDH1A1LMNACYP2D6KMT2ANPSR1
SCHEMBL5996615 0.71 PIN1 (0.47) ALDH1A1KMT2AMAPK1MEN1L3MBTL1

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 216/4885LMNA 3634/4885CYP2D6 245/4885

“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.