SCHEMBL5998326

SCHEMBL5998326

CCOC(=O)C(CN)C1(C)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.35
HPGD P15428 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
CPB2 Q96IY4 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 2/20 0.33
CYP2C19 P33261 3/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2D6 P10635 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL3335051 0.86 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL5998129 0.84 MGAM (0.30) GAA
SCHEMBL10908630 0.84 CPB2 (0.41) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL20476800 0.78 ALDH1A1 (0.32) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL3384488 0.77 CYP3A4 (0.38) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL6658859 0.76 ALDH1A1 (0.32) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL21405308 0.75 ALDH1A1 (0.37) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL19407243 0.71 CA1 (0.35) ALDH1A1HPGDLMNANPSR1KDM4E
SCHEMBL16146939 0.70 ALDH1A1 (0.36) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL2160390 0.68 ALDH1A1 (0.33) ALDH1A1TSHR

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.