SCHEMBL15614743

SCHEMBL15614743

CC(C)(C)OC(=O)NC[C@H](O)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.41
CYP3A4 P08684 3/20 0.39
SERPINE1 P05121 1/20 0.35
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
AVPR1A P37288 1/20 0.33
SYK P43405 1/20 0.33
PCSK9 Q8NBP7 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL13510949 1.00 ADRB2 (0.41) ADRB2CYP3A4SERPINE1NPC1ALDH1A1
SCHEMBL925596 0.85 ADRB2 (0.41) ADRB2CYP3A4NPC1ALDH1A1LMNA
SCHEMBL2831936 0.85 ADRB2 (0.41) ADRB2CYP3A4NPC1ALDH1A1LMNA
SCHEMBL925593 0.85 ADRB2 (0.41) ADRB2CYP3A4NPC1ALDH1A1LMNA
SCHEMBL28746933 0.81 ADRB2 (0.61) ADRB2CYP3A4LMNAHIF1AADRB1
SCHEMBL3030894 0.81 ADRB2 (0.61) ADRB2CYP3A4LMNAHIF1AADRB1
SCHEMBL3024798 0.80 ADRB2 (0.34) ADRB2
SCHEMBL925393 0.79 AVPR1A (0.37) CYP3A4ALDH1A1LMNAKDM4DAVPR1A
SCHEMBL12321368 0.78 HDAC3 (0.48) ADRB2CYP3A4SERPINE1NPC1
SCHEMBL28731919 0.76 NPC1 (0.37) ADRB2CYP3A4NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116024187-B Enzymatic preparation method of vilantrum Luo Zhongjian 合肥大学 2024-04-26 CN disclosed
WO-2023097678-A1 METHOD FOR SYNTHESIZING (R)-5-(2,2-DIMETHYL-4H-BENZO[D][1,3]DIOXIN-6-YL)OXAZOLIDIN-2-ONE 广东莱佛士制药技术有限公司 2023-06-08 WO disclosed
CN-113735816-B Method for preparing chiral alcohol from ketone by using microchannel reactor 安徽德信佳生物医药有限公司 2022-04-19 CN disclosed
US-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF PERRIGO API LTD. (IL) 2015-08-27 US disclosed
US-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF PERRIGO API LTD. (IL) 2015-08-27 US disclosed
WO-2014041565-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2014-03-20 WO disclosed
CN-101701006-B Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2014-03-05 CN disclosed
CN-103288793-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2013-09-11 CN disclosed
CN-1585633-B Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD 2010-10-27 CN disclosed
CN-101701006-A Phenethanolamine derivatives for treatment of respiratory diseases GLAXO GROUP LTD 2010-05-05 CN disclosed
CN-1302007-C 17 beta-thiocarboxylic ester derivatives of androstanes with a cyclic ester group in the 17 alpha position having anti-inflammatory properties GLAXO GROUP LTD (GB) 2007-02-28 CN disclosed
CN-1585633-A Phenylethanolamine derivatives for the treatment of respiratory diseases GLAXO GROUP LTD (GB) 2005-02-23 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-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF VAT1, VKORC1L1, VKORC1 ADRB2 1369/4885CYP3A4 7/4885SERPINE1 2268/4885

“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.