Octane

Octane

SCHEMBL3326752

CCCCCCCC.NC(=O)c1cc(O)ccc1O

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.63
HTT P42858 2/20 0.53
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
KAT8 Q9H7Z6 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX5 P09917 3/20 0.49
MEN1 O00255 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49
TYR P14679 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL10781901 0.85 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL1163541 0.85 CA12 (0.64) CA12CA1CA2CA7CA9
Gentisic Acid SCHEMBL7261711 0.84 CA12 (0.71) NAAAHTTCA12CA1CA2
SCHEMBL1037025 0.83 CA12 (0.51) NAAACA12CA1CA2CA7
SCHEMBL11727912 0.82 KAT8 (0.75) KAT8KDM4EMEN1CYP3A4MAPT
SCHEMBL9603187 0.81 HTT (0.73) NAAAHTTCA12CA1CA2
SCHEMBL9603015 0.81 HTT (0.73) NAAAHTTCA12CA1CA2
SCHEMBL9601564 0.81 HTT (0.73) NAAAHTTCA12CA1CA2
SCHEMBL14261445 0.81 HTT (0.73) NAAAHTTCA12CA1CA2
SCHEMBL11298470 0.81 HTT (0.73) NAAAHTTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101765367-A Substances for the protection of cells and/or tissues RALF LOESEL 2010-06-30 CN disclosed
US-20100129436-A1 SUBTANCES FOR THE PROTECTION OF CELLS AND/OR TISSUES LOSEL RALF 2010-05-27 US 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-20100129436-A1 SUBTANCES FOR THE PROTECTION OF CELLS AND/OR TISSUES CTSA, BCL2, BAX NAAA 4381/4885HTT 743/4885CA12 1364/4885

“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.