SCHEMBL10000453

SCHEMBL10000453

NCCOc1ccccc1CO

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HTR1B P28222 2/20 0.56
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
RAB9A P51151 1/20 0.55
TAAR1 Q96RJ0 2/20 0.47
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LTA4H P09960 2/20 0.41
PLA2G2A P14555 1/20 0.41
JAK2 O60674 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH1 P35367 1/20 0.39

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
SCHEMBL11212429 0.90 HTR1B (0.58) KDM4EHPGDSMN1; SMN2HTR1BMAPK1
SCHEMBL27946664 0.87 KDM4E (0.57) KDM4EHPGDSMN1; SMN2MAPK1MAPT
SCHEMBL17445915 0.85 KDM4E (0.51) KDM4EHPGDMAPK1TP53MAPT
SCHEMBL10458645 0.84 KCNH2 (0.48) KDM4EHPGDSMN1; SMN2HTR1BMAPK1
SCHEMBL19632809 0.83 KDM4E (0.68) KDM4EHPGDSMN1; SMN2HTR1BMAPK1
SCHEMBL7873203 0.83 IDO1 (0.53) KDM4EHPGDSMN1; SMN2HTR1BMAPK1
SCHEMBL2921540 0.83 KDM4E (0.43) KDM4EHPGDSMN1; SMN2HTR1BMAPK1
SCHEMBL7997520 0.82 HTR1B (0.50) KDM4EHPGDSMN1; SMN2HTR1BMAPK1
Hydrochloric Acid SCHEMBL25375445 0.82 KDM4E (0.72) KDM4EHPGDSMN1; SMN2HTR1BMAPK1
SCHEMBL31050988 0.80 KDM4E (0.95) KDM4EHPGDSMN1; SMN2HTR1BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041044-A1 PROCESS FOR THE PREPARATION OF CARVEDILOL AND ITS ENANTIOMERS ZACH SYSTEM S.P.A. (IT) 2012-02-16 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-20120041044-A1 PROCESS FOR THE PREPARATION OF CARVEDILOL AND ITS ENANTIOMERS ADRB1, ADRB2, ADRA1A KDM4E 2266/4885HPGD 1220/4885SMN1; SMN2 2872/4885

“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.