SCHEMBL22654049

SCHEMBL22654049

CC[C@](C)(CO)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 2/20 0.42
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.39
MIF P14174 1/20 0.38
BCL2 P10415 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL7037051 1.00 MEN1 (0.50) MEN1KMT2AESR1ESR2NPSR1
SCHEMBL13930871 0.87 MEN1 (0.52) MEN1KMT2AESR1ESR2NPSR1
SCHEMBL7041299 0.84 ESR1 (0.47) MEN1KMT2AESR1ESR2NPSR1
SCHEMBL10691417 0.82 MEN1 (0.48) MEN1KMT2ANPSR1POLBL3MBTL1
SCHEMBL9064223 0.81 TSHR (0.46) MEN1KMT2AESR1ESR2CYP19A1
SCHEMBL12054100 0.79 ESR1 (0.46) MEN1KMT2AESR1ESR2NPSR1
SCHEMBL7037048 0.79 MEN1 (0.45) MEN1KMT2AESR1ESR2NPSR1
SCHEMBL10835512 0.79 ESR1 (0.44) MEN1KMT2AESR1ESR2SMN1; SMN2
SCHEMBL6348384 0.79 MEN1 (0.45) MEN1KMT2ANPSR1POLBL3MBTL1
SCHEMBL7040834 0.78 CYP2C19 (0.52) MEN1KMT2AESR1ESR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421200-B2 Manganese-catalysed hydrogenation of esters UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2025-09-23 US disclosed
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
EP-3737663-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS University Court of The University of St Andrews (GB) 2020-11-18 EP 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 (2 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-12421200-B2 Manganese-catalysed hydrogenation of esters ADH5, HDHD5, ADH1A MEN1 85/4885KMT2A 575/4885ESR1 1070/4885
US-20210053932-A1 MANGANESE-CATALYSED HYDROGENATION OF ESTERS ADH5, HDHD5, ADH1A MEN1 85/4885KMT2A 575/4885ESR1 1070/4885

“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.