SCHEMBL21715044

SCHEMBL21715044

CCOC(=O)C(C(c1ccccc1)c1ccc(C)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
STAT3 P40763 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL15700139 0.79 ALDH1A1 (0.47) HSD11B1CYP3A4PDE4APDE4BPDE4C
SCHEMBL8998992 0.76 MMP8 (0.49) CYP3A4CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL1332360 0.75 ALDH1A1 (0.51) HSD11B1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL3625848 0.75 ALDH1A1 (0.51) HSD11B1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1184723 0.74 ALDH1A1 (0.50) HSD11B1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL31483318 0.74 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL917955 0.74 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPSR1KDM4E
SCHEMBL11590919 0.74 ALDH1A1 (0.50) HSD11B1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL5084136 0.74 LMNA (0.55) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL8998813 0.73 MMP8 (0.47) CYP3A4CYP2C19ALDH1A1MEN1KMT2A

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
US-10696617-B2 Method for alcoholysis of amide ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-06-30 US disclosed
US-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2020-02-20 US disclosed
CN-107417594-A A kind of method of acid amides alcoholysis 凯莱英医药集团(天津)股份有限公司 2017-12-01 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-20200055807-A1 METHOD FOR ALCOHOLYSIS OF AMIDE ADH1A, ADH5, ADH1C HSD11B1 779/4885CYP3A4 500/4885CYP2C19 1088/4885
US-10696617-B2 Method for alcoholysis of amide ADH5, ADH1A, ADH1C HSD11B1 766/4885CYP3A4 267/4885CYP2C19 608/4885

“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.