Hexane

Hexane

SCHEMBL3352152

CCCCCC.ClCCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCCC1OCCO1

nearest known ligand 0.44

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.44
LPAR2 Q9HBW0 7/20 0.44
ALDH1A1 P00352 2/20 0.43
FAAH O00519 2/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.41
TRPV1 Q8NER1 1/20 0.39

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
Hexane SCHEMBL3352147 1.00 ENPP2 (0.44) ENPP2LPAR2ALDH1A1FAAHTSHR
SCHEMBL4804211 0.92 ALDH1A1 (0.50) ENPP2LPAR2ALDH1A1FAAHEPHX1
SCHEMBL4801706 0.92 ALDH1A1 (0.50) ENPP2LPAR2ALDH1A1FAAHEPHX1
SCHEMBL5572878 0.92 ENPP2 (0.35) ENPP2LPAR2FAAH
SCHEMBL9807194 0.92 ALDH1A1 (0.50) ENPP2LPAR2ALDH1A1FAAHEPHX1
SCHEMBL4801711 0.92 ALDH1A1 (0.50) ENPP2LPAR2ALDH1A1FAAHEPHX1
SCHEMBL9807187 0.92 ALDH1A1 (0.50) ENPP2LPAR2ALDH1A1FAAHEPHX1
SCHEMBL5575577 0.92 ENPP2 (0.35) ENPP2LPAR2FAAH
SCHEMBL5575582 0.92 ENPP2 (0.35) ENPP2LPAR2FAAH
SCHEMBL5572875 0.92 ENPP2 (0.35) ENPP2LPAR2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-20060148761-A1 Lipids CELLTECH R & D LIMITED 2006-07-06 US disclosed
US-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US disclosed
US-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 US disclosed
EP-1204428-A2 TARGETED LIPID PARTICLES Celltech R&D Limited (GB) 2002-05-15 EP disclosed
WO-2001012154-A2 TARGETED LIPID PARTICLES CELLTECH R&D LIMITED (GB) 2001-02-22 WO disclosed
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 ENPP2 301/4885LPAR2 9/4885ALDH1A1 4222/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 ENPP2 301/4885LPAR2 9/4885ALDH1A1 4222/4885

“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.