Hexane

Hexane

SCHEMBL5202053

CCCCCC.CCOC(=O)C(CC)CC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.52
CA1 P00915 4/20 0.52
MAPK1 P28482 1/20 0.46
CPB2 Q96IY4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
NAAA Q02083 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DGKA P23743 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.39
FAAH O00519 2/20 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
SCHEMBL284647 0.90 ALDH1A1 (0.50) CA2CA1CPB2ALDH1A1MEN1
SCHEMBL3682929 0.89 CA2 (0.62) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL12860221 0.89 CA2 (0.62) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL12860453 0.89 CA2 (0.62) CA2CA1MAPK1CPB2ZDHHC7
SCHEMBL4957929 0.87 ALDH1A1 (0.48) CA2CA1CPB2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL27554398 0.87 ALDH1A1 (0.48) CA2CA1CPB2ALDH1A1MEN1
SCHEMBL21981164 0.87 ALDH1A1 (0.48) CA2CA1CPB2ALDH1A1MEN1
SCHEMBL28145904 0.87 ALDH1A1 (0.48) CA2CA1CPB2ALDH1A1MEN1
SCHEMBL29207090 0.87 ALDH1A1 (0.48) CA2CA1CPB2ALDH1A1MEN1
SCHEMBL28904001 0.87 ALDH1A1 (0.48) CA2CA1CPB2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 EP disclosed
US-8084456-B2 Pyrazine-based tubulin inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-12-27 US disclosed
EP-1569917-A4 PYRAZINE-BASED TUBULIN INHIBITORS CYTOPIA PTY LTD (AU) 2007-08-15 EP disclosed
US-20070082894-A1 Pyrazine-based tubulin inhibitors CYTOPIA PTY LTD (AU) 2007-04-12 US disclosed
EP-1569917-A1 PYRAZINE-BASED TUBULIN INHIBITORS Cytopia PTY Ltd (AU) 2005-09-07 EP disclosed
WO-2004052868-A1 PYRAZINE-BASED TUBULIN INHIBITORS CYTOPIA PTY LTD (AU) 2004-06-24 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-20070082894-A1 Pyrazine-based tubulin inhibitors TUBB1, TUBA1C, TUBB CA2 3412/4885CA1 2778/4885MAPK1 1051/4885

“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.