SCHEMBL3977092

SCHEMBL3977092

CCC(C)C(C(N)=O)C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.34
MME P08473 2/20 0.33
ACE P12821 2/20 0.33
CPA1 P15085 2/20 0.33
ACE2 Q9BYF1 2/20 0.33
TSHR P16473 1/20 0.33
ENPEP Q07075 2/20 0.33
DPP7 Q9UHL4 2/20 0.32
ALOX15 P16050 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
SCHEMBL3686602 0.90 CA1 (0.40) CA1CA2DPP4DPP8DPP9
SCHEMBL18826564 0.82 CA1 (0.40) CA1CA2DPP4DPP8DPP9
SCHEMBL19455913 0.78
SCHEMBL26178358 0.78
SCHEMBL276458 0.78
SCHEMBL24777703 0.78
SCHEMBL23253011 0.78
SCHEMBL16409904 0.78
SCHEMBL6314501 0.76
SCHEMBL1114506 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160282672-A1 LIQUID CRYSTAL DISPLAY AND METHOD OF MANUFACTURING THE SAME TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2016-09-29 US disclosed
CN-102132398-B Self-aligned barrier layers for interconnects HARVARD COLLEGE 2015-01-28 CN disclosed
US-7511178-B2 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenation of glycolaldehyde; catalyst selectivity; cost efficiency SHELL OIL COMPANY (US) 2009-03-31 US disclosed
US-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency ALMEIDA LENERO KARINA QUETZALY 2009-01-08 US disclosed
US-7449607-B2 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2008-11-11 US disclosed
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2007-10-25 US disclosed
EP-1697291-A1 PROCESS FOR PREPARING GLYCOLALDEHYDE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-09-06 EP disclosed
WO-2005058788-A1 PROCESS OF PREPARING GLYCOLALDEHYDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-06-30 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 (2 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-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency H1-0, H1-2, H1-10 CA1 211/4885CA2 415/4885DPP4 4517/4885
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group PHOSPHO1, H1-2, H1-0 CA1 89/4885CA2 118/4885DPP4 4616/4885

“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.