SCHEMBL726157

SCHEMBL726157

CCC(C)(C)P(Cc1ccccc1CP(C(C)(C)CC)C(C)(C)CC)C(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
RIPK1 Q13546 7/20 0.35
MGLL Q99685 1/20 0.33
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PNMT P11086 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL29703786 1.00 GABRA1 (0.36) GABRA1GABRB2RIPK1MGLLBCHE
SCHEMBL726065 0.87 TAAR1 (0.41) MGLLACHE
SCHEMBL1423139 0.82 TAAR1 (0.31)
SCHEMBL30446002 0.82 TAAR1 (0.31)
SCHEMBL16524284 0.82 CYP1A2 (0.31)
SCHEMBL29381329 0.80 GABRA1 (0.33) GABRA1GABRB2RIPK1MGLLBCHE
SCHEMBL34189 0.80 GABRA1 (0.33) GABRA1GABRB2RIPK1MGLLBCHE
SCHEMBL2145797 0.80 KDM4E (0.35)
SCHEMBL16524281 0.80
SCHEMBL6055441 0.79 RIPK1 (0.46) RIPK1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928061-B Continuous process for the carbonylation of ethylene 璐彩特国际英国有限公司 2020-08-28 CN claimed
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP claimed
US-9382190-B2 Continuous process for the carbonylation of ethylene LUCITE INTERNATIONAL UK LIMITED (GB) 2016-07-05 US claimed
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2015-04-09 US claimed
EP-2794548-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE Lucite International UK Limited (GB) 2014-10-29 EP claimed
EP-2007703-B1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INT UK LTD (GB) 2013-12-18 EP claimed
WO-2013093472-A1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INTERNATIONAL UK LIMITED (GB) 2013-06-27 WO claimed
US-8445711-B2 Metal complexes LUCITE INTERNATIONAL UK LIMITED (GB) 2013-05-21 US claimed
JP-4808401-B2 2011-11-02 JP claimed
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2010-08-05 US claimed
WO-2007119079-A1 METAL COMPLEXES FOR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2007-10-25 WO claimed
US-20060128985-A1 Carbonylation of vinyl acetate LUCITE INTERNATIONAL, INC. 2006-06-15 US claimed
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds LUCITE INTERNATIONAL UK LIMITED (GB) 2006-06-08 US claimed
US-7026473-B2 Process for the carbonylation of pentenenitrile SHELL OIL COMPANY (US) 2006-04-11 US claimed
JP-2006508162-A 2006-03-09 JP claimed
JP-2005535695-A 2005-11-24 JP claimed
EP-1565425-A1 CARBONYLATION OF VINYL ACETATE Lucite International UK Limited (GB) 2005-08-24 EP claimed
EP-1527038-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS Lucite International UK Limited (GB) 2005-05-04 EP claimed
WO-2004050599-A1 CARBONYLATION OF VINYL ACETATE LUCITE INTERNATIONAL UK LIMITED (GB) 2004-06-17 WO claimed
WO-2004014834-A1 PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUDS LUCITE INTERNATIONAL UK LIMITED (GB) 2004-02-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060128985-A1 Carbonylation of vinyl acetate PCCA, LDHA, PC GABRA1 1507/4885GABRB2 1800/4885RIPK1 3250/4885
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK GABRA1 2017/4885GABRB2 2955/4885RIPK1 1724/4885
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds CYC1, CYCS, COX5A GABRA1 2866/4885GABRB2 2928/4885RIPK1 1350/4885
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 GABRA1 2532/4885GABRB2 2809/4885RIPK1 2257/4885

“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.