SCHEMBL1734830

SCHEMBL1734830

c1ccc(CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c(CP(C23CC4CC(CC(C4)C2)C3)C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
EPHX2 P34913 3/20 0.37
OPRK1 P41145 1/20 0.37
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL2830096 0.98 P2RX7 (0.38) P2RX7MEN1KMT2AEPHX2OPRK1
SCHEMBL1734016 0.87 P2RX7 (0.35) P2RX7MEN1KMT2AEPHX2OPRK1
SCHEMBL3000346 0.86 P2RX7 (0.34) P2RX7MEN1KMT2AEPHX2CYP11B1
SCHEMBL1735054 0.86 P2RX7 (0.32) P2RX7MEN1KMT2AEPHX2OPRK1
SCHEMBL2170720 0.86 P2RX7 (0.32) P2RX7MEN1KMT2AEPHX2OPRK1
SCHEMBL727665 0.85 CYP2D6 (0.44) MEN1KMT2AEPHX2ALDH1A1HPGD
SCHEMBL16524441 0.84 RAB9A (0.34) P2RX7MEN1KMT2AEPHX2OPRK1
SCHEMBL1423104 0.83 P2RX7 (0.34) P2RX7MEN1KMT2AEPHX2OPRK1
SCHEMBL289717 0.82 OPRK1 (0.42) P2RX7MEN1KMT2AEPHX2OPRK1
SCHEMBL3685420 0.82 P2RX7 (0.32) P2RX7MEN1KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116082157-A Method for preparing organic carboxylic ester by olefine unsaturated compound alkoxycarbonyl reaction 上海梓龄化工技术有限公司 2023-05-09 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-1931471-B1 CONTINUOUS CARBONYLATION PROCESS LUCITE INT UK LTD (GB) 2014-10-01 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
US-8604236-B2 Catalyst system LUCITE INTERNATIONAL UK LIMITED (GB) 2013-12-10 US 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
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-7265240-B2 With CO in the presence of a source of hydroxyl groups (water or an alcohol) and a catalyst obtained by combining a Group VIII metal or a compound thereof and a bidentate phosphine, e.g., tri(dibenzylideneacetone)di-palladium LUCITE INTERNATIONAL UK LIMITED (GB) 2007-09-04 US claimed
WO-2007020379-A1 IMPROVED CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2007-02-22 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
EP-1651587-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS Lucite International UK Limited (GB) 2006-05-03 EP claimed
JP-2006508162-A 2006-03-09 JP claimed
EP-1565425-A1 CARBONYLATION OF VINYL ACETATE Lucite International UK Limited (GB) 2005-08-24 EP claimed
WO-2005003070-A1 PROCESS FOR THE HYDROFORMYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS LUCITE INTERNATIONAL UK LIMITED (GB) 2005-01-13 WO claimed
WO-2004050599-A1 CARBONYLATION OF VINYL ACETATE LUCITE INTERNATIONAL UK LIMITED (GB) 2004-06-17 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 (3 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 P2RX7 3916/4885MEN1 3713/4885KMT2A 1956/4885
US-20150099896-A1 CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE SCD, ELOVL6, ALK P2RX7 4835/4885MEN1 3844/4885KMT2A 3010/4885
US-20060122435-A1 Process for the carbonylation of ethylenically unsaturated compounds CYC1, CYCS, COX5A P2RX7 2637/4885MEN1 3492/4885KMT2A 3111/4885

“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.