SCHEMBL23027133

SCHEMBL23027133

CCOC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MMP8 P22894 1/20 0.52
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PIN1 Q13526 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL25060413 1.00 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL24595742 0.92 MMP8 (0.49) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL21428971 0.89 MMP8 (0.54) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL3632576 0.89 L3MBTL1 (0.54) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL13064940 0.88 L3MBTL1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL31489074 0.88 L3MBTL1 (0.52) ALDH1A1L3MBTL1LMNAPOLBHSD17B10
SCHEMBL7763937 0.86 EPOR (0.54) ALDH1A1POLBHSD17B10HPGDMEN1
SCHEMBL2059549 0.86 CTRB1 (0.49) ALDH1A1L3MBTL1LMNAHPGDKMT2A
SCHEMBL7438541 0.86 CTRB1 (0.49) ALDH1A1L3MBTL1LMNAHPGDKMT2A
SCHEMBL13541175 0.85 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNAPOLBHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136669-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2025-06-13 CN disclosed
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 US disclosed
CN-111587238-A Manganese catalyzed ester hydrogenation 圣安德鲁斯大学董事会 2020-08-25 CN 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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A ALDH1A1 1003/4885L3MBTL1 2046/4885LMNA 3128/4885

“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.