SCHEMBL4462470

SCHEMBL4462470

C=CCCC1COC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
LSS P48449 1/20 0.37
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL817984 0.87 CA2 (0.38) CA2LSSALDH1A1NPSR1
SCHEMBL10027882 0.86 CA2 (0.37) CA2LSSALDH1A1NPSR1
SCHEMBL649718 0.86 CA2 (0.37) CA2LSSALDH1A1NPSR1
SCHEMBL649719 0.86 CA2 (0.37) CA2LSSALDH1A1NPSR1
SCHEMBL815674 0.86 CA2 (0.37) CA2LSSALDH1A1NPSR1
SCHEMBL18817541 0.81 CA2 (0.50) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL7154999 0.81 CA2 (0.50) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL7152435 0.81 CA2 (0.45) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL7156770 0.81 CA2 (0.45) CA2ALDH1A1NPSR1CHRM2CHRM4
SCHEMBL12400279 0.80 CA2 (0.43) CA2ALDH1A1NPSR1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479531-B2 Copolymer of ethylene and/or propylene; and octen-1-ol,7-octen-1-ol trimethylsilyl ether, octenyl acetate, 5-norbornen-2-yl acetate, 5-norbornen-2-ol and/or 5-norbornen-2-ol trimethylsilyl ether; transition metal catalyst comprising 2-arylazo- or 2-arylphosphazo- phenoxide ligand EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 US claimed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 US claimed
EP-1626999-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEM PATENTS INC (US) 2007-09-26 EP claimed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US claimed
EP-1626999-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS Exxonmobil Chemical Patents Inc. (US) 2006-02-22 EP claimed
US-20040260043-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS, INC. 2004-12-23 US claimed
WO-2004101634-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-11-25 WO claimed
US-8263774-B2 Quinoline-oxazoline compounds and their use in oxidation synthesis UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-09-11 US disclosed
US-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-03 US disclosed
US-7479531-B2 Copolymer of ethylene and/or propylene; and octen-1-ol,7-octen-1-ol trimethylsilyl ether, octenyl acetate, 5-norbornen-2-yl acetate, 5-norbornen-2-ol and/or 5-norbornen-2-ol trimethylsilyl ether; transition metal catalyst comprising 2-arylazo- or 2-arylphosphazo- phenoxide ligand EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 US disclosed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 US disclosed
EP-1626999-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEM PATENTS INC (US) 2007-09-26 EP disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
EP-1626999-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS Exxonmobil Chemical Patents Inc. (US) 2006-02-22 EP disclosed
US-20040260043-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS, INC. 2004-12-23 US disclosed
WO-2004101634-A1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-11-25 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-20110054176-A1 QUINOLINE-OXAZOLINE COMPOUNDS AND THEIR USE IN OXIDATION SYNTHESIS XDH, OXA1L, AOX1 CA2 1476/4885LSS 1995/4885ALDH1A1 421/4885

“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.