SCHEMBL23027206

SCHEMBL23027206

CC(C)[C@@H](C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.45
MAPK1 P28482 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
EPOR P19235 1/20 0.44
CTSB P07858 2/20 0.44
MEN1 O00255 2/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SLC15A1 P46059 1/20 0.43
CHRNB2 P17787 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
SCHEMBL16847451 1.00 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684015 0.89 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684024 0.89 ALDH1A1 (0.49) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684603 0.88 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9684597 0.88 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL26325026 0.84 TSHR (0.50) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9841010 0.84 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL26988864 0.84 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL9841014 0.84 ALDH1A1 (0.53) ALDH1A1LMNAL3MBTL1POLBHSD17B10
SCHEMBL2438545 0.82 FFAR1 (0.48) LMNAKMT2AEPORCTSBMEN1

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
EP-3737663-B1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIV COURT UNIV ST ANDREWS (GB) 2023-02-22 EP disclosed
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2021-02-25 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-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A ALDH1A1 1003/4885LMNA 3128/4885L3MBTL1 2046/4885

“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.