SCHEMBL755077

SCHEMBL755077

CCCCCCC(CC)C(=O)OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.56
CA1 P00915 4/20 0.56
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.47
FAAH O00519 2/20 0.46
ZDHHC7 Q9NXF8 1/20 0.44
BIRC2 Q13490 1/20 0.43
GRIK1 P39086 1/20 0.42
GRIK2 Q13002 1/20 0.42
ABCB1 P08183 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL28087193 1.00 CA2 (0.56) CA2CA1LMNAMAPK1FAAH
SCHEMBL17713605 1.00 CA2 (0.56) CA2CA1LMNAMAPK1FAAH
SCHEMBL28913174 0.98 CA2 (0.58) CA2CA1LMNAMAPK1FAAH
SCHEMBL19135675 0.92 LMNA (0.55) CA2CA1LMNAFAAHZDHHC7
SCHEMBL8041217 0.92 LMNA (0.55) CA2CA1LMNAFAAHZDHHC7
SCHEMBL18597123 0.92 LMNA (0.55) CA2CA1LMNAFAAHZDHHC7
SCHEMBL12961023 0.92 LMNA (0.55) CA2CA1LMNAFAAHZDHHC7
SCHEMBL18597022 0.92 LMNA (0.55) CA2CA1LMNAFAAHZDHHC7
SCHEMBL2779484 0.92 LMNA (0.55) CA2CA1LMNAFAAHZDHHC7
SCHEMBL332832 0.92 CA2 (0.66) CA2CA1LMNAMAPK1FAAH

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-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
US-7714087-B2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2010-05-11 US disclosed
US-20090137757-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof IMUTA JUNICHI 2009-05-28 US disclosed
CN-100357330-C Polar group-containing olefin copolymer, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2007-12-26 CN disclosed
CN-100335509-C Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2007-09-05 CN disclosed
CN-1737017-A Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1737016-A Polar group-containing olefin copolymer, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS INC (JP) 2006-02-22 CN disclosed
CN-1219800-C Polar group-containing olefin copolymer, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2005-09-21 CN disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 EP disclosed
CN-1342715-A Polar group-containing olefin copolymer, process for producing the same, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2002-04-03 CN 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 (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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT CA2 4666/4885CA1 4794/4885LMNA 2825/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA2 4439/4885CA1 4422/4885LMNA 2945/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI CA2 4439/4885CA1 4422/4885LMNA 2945/4885

“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.