Hexane

Hexane

SCHEMBL17422136

CCCCCC.COC(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
MAPK1 P28482 1/20 0.42
GPR84 Q9NQS5 6/20 0.41
FFAR1 O14842 2/20 0.41
PPARD Q03181 5/20 0.39
MAPT P10636 1/20 0.39
LCK P06239 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
CA1 P00915 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL637417 0.87 SLC1A3 (0.37) MAPTSLC1A2SLC1A1TSHRALDH1A1
SCHEMBL724845 0.74 SLC1A3 (0.39) MAPTSLC1A2SLC1A1TSHRALDH1A1
SCHEMBL13698690 0.71 THRB (0.33) CA2MAPK1MAPTPPARAALDH1A1
SCHEMBL5527513 0.71 FFAR1 (0.39) FFAR1SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7783013 0.70 ALDH1A1 (0.36) MAPTSLC1A2SLC1A1TSHRALDH1A1
SCHEMBL6560782 0.69 ALDH1A1 (0.35) MAPTTSHRALDH1A1
SCHEMBL8072808 0.68 HSPD1 (0.56) CA2MAPK1GPR84FFAR1PPARD
SCHEMBL2137285 0.68 GPR84 (0.52) CA2MAPK1GPR84FFAR1PPARD
Hexane SCHEMBL3187009 0.67 CA2 (0.81) CA2MAPK1GPR84FFAR1PPARD
SCHEMBL21247622 0.67 HSPD1 (0.59) CA2MAPK1GPR84FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647737-B2 Sulfated-glycolipids as adjuvants for vaccines NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2020-05-12 US disclosed
EP-3166957-B1 SULFATED-GLYCOLIPIDS AS ADJUVANTS FOR VACCINES NAT RES COUNCIL CANADA (CA) 2019-11-13 EP disclosed
US-20170158728-A1 SULFATED-GLYCOLIPIDS AS ADJUVANTS FOR VACCINES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2017-06-08 US disclosed
EP-3166957-A1 SULFATED-GLYCOLIPIDS AS ADJUVANTS FOR VACCINES National Research Council of Canada (CA) 2017-05-17 EP disclosed
WO-2016004512-A1 SULFATED-GLYCOLIPIDS AS ADJUVANTS FOR VACCINES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2016-01-14 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-10647737-B2 Sulfated-glycolipids as adjuvants for vaccines DEGS1, SGMS1, CD4 CA2 1746/4885MAPK1 1454/4885GPR84 3243/4885
US-20170158728-A1 SULFATED-GLYCOLIPIDS AS ADJUVANTS FOR VACCINES DEGS1, SGMS1, CD4 CA2 1746/4885MAPK1 1454/4885GPR84 3243/4885

“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.