SCHEMBL925393

SCHEMBL925393

CC(C)(C)OC(=O)NCC(=O)c1ccc2c(c1)COC(C)(C)O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.34
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GPR119 Q8TDV5 1/20 0.33
LMNA P02545 1/20 0.33
HCRTR2 O43614 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
DGAT1 O75907 1/20 0.32
ROCK2 O75116 1/20 0.32
EPHX2 P34913 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 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
SCHEMBL28490290 0.88 AVPR1A (0.35) AVPR1AMAPTCYP3A4ALDH1A1GPR119
SCHEMBL6142523 0.84 MEN1 (0.33) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL925100 0.84 KMT2A (0.36) MEN1KMT2AMAPTALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6142521 0.80 ALDH1A1 (0.33) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL925391 0.80 MEN1 (0.32) MEN1KMT2AGPR119ABCB1
SCHEMBL15579052 0.79 MAPT (0.33) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL15614743 0.79 ADRB2 (0.41) AVPR1ACYP3A4ALDH1A1GPR119LMNA
SCHEMBL28783308 0.79 MEN1 (0.31) MEN1KMT2AGPR119
SCHEMBL13510949 0.79 ADRB2 (0.41) AVPR1ACYP3A4ALDH1A1GPR119LMNA
SCHEMBL27530964 0.78 L3MBTL1 (0.37) MEN1KMT2AMAPTALDH1A1LMNA

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 87 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114736186-A Method for synthesizing vilanterol intermediate from tert-butyl carbamate 安徽德信佳生物医药有限公司 2022-07-12 CN claimed
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 claimed
CN-113735816-A Method for preparing chiral alcohol from ketone by using microchannel reactor 安徽德信佳生物医药有限公司 2021-12-03 CN claimed
CN-109574982-B Method for synthesizing vilanterol intermediate under catalysis of solid acid 安徽德信佳生物医药有限公司 2020-11-27 CN claimed
US-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF PERRIGO API LTD. (IL) 2015-08-27 US claimed
WO-2014041565-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2014-03-20 WO claimed
CN-114736186-B Method for synthesizing Violet Luo Zhongjian body from tert-butyl carbamate 安徽德信佳生物医药有限公司 2023-08-08 CN disclosed
CN-114736186-A Method for synthesizing vilanterol intermediate from tert-butyl carbamate 安徽德信佳生物医药有限公司 2022-07-12 CN disclosed
CN-114736186-A Method for synthesizing vilanterol intermediate from tert-butyl carbamate 安徽德信佳生物医药有限公司 2022-07-12 CN 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
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
CN-113735816-A Method for preparing chiral alcohol from ketone by using microchannel reactor 安徽德信佳生物医药有限公司 2021-12-03 CN disclosed
CN-113735816-A Method for preparing chiral alcohol from ketone by using microchannel reactor 安徽德信佳生物医药有限公司 2021-12-03 CN disclosed
WO-2003072539-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-09-04 WO disclosed
WO-2003035668-A2 NOVEL ANTI-INFLAMMATORY ANDROSTANE DERIVATIVES -17-CARBOXY-LACTONE SUBSTITUTED STEROIDS WITH AN ARYL-CARBOXYLIC ESTER IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2003-05-01 WO disclosed
WO-2003024439-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-03-27 WO disclosed
WO-2002100879-A1 NOVEL ANTI-INFLAMMATORY 17.ALPHA.-HETEROCYCLIC-ESTERS OF 17.BETA.CARBOTHIOATE ANDROSTANE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
WO-2002088167-A1 ANTI-INFLAMMATORY 17.BETA.-CARBOTHIOATE ESTER DERIVATIVES OF ANDROSTANE WITH A CYCLIC ESTER GROUP IN POSITION 17.ALPHA GLAXO GROUP LIMITED (GB) 2002-11-07 WO disclosed
WO-2002070490-A1 AGONISTS OF BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 2002-09-12 WO disclosed
WO-2002066422-A1 PHENETHANOLAMINE DERIVATIVES FOR TREATMENT OF RESPIRATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-08-29 WO 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 AVPR1A 16/4885MEN1 3270/4885KMT2A 3964/4885

“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.