SCHEMBL5997292

SCHEMBL5997292

CCOC(=O)C(CN1C(=O)c2ccc3ccccc3c2C1=O)C1(C)OCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIN1 Q13526 1/20 0.36
PIN4 Q9Y237 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CHEK1 O14757 1/20 0.35
ATM Q13315 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL5997892 0.91 ALDH1A1 (0.38) ALDH1A1HPGDLMNAKMT2AMEN1
SCHEMBL5998656 0.90 ALDH1A1 (0.42) ALDH1A1HPGDLMNANPSR1KMT2A
SCHEMBL5997643 0.86 LMNA (0.40) ALDH1A1HPGDLMNANPSR1KMT2A
SCHEMBL5997107 0.85 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL5997961 0.83 ANPEP (0.38) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL5996055 0.82 HPGD (0.37) ALDH1A1HPGDLMNANPSR1KMT2A
SCHEMBL5998320 0.82 MMP1 (0.38) ALDH1A1HPGDLMNA
SCHEMBL5998379 0.81 PIN1 (0.41) ALDH1A1HPGDLMNAKMT2AKDM4E
SCHEMBL5997985 0.79 ALDH1A1 (0.40) ALDH1A1NPSR1KMT2AMEN1MAPK1
SCHEMBL5996174 0.79 PIN1 (0.33) ALDH1A1HPGDLMNAKMT2AMEN1

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 216/4885HPGD 228/4885LMNA 3634/4885

“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.