Octane

Octane

SCHEMBL3976334

CCCCC(CC)CO[PH](=O)O.CCCCCCCC

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.49
TSHR P16473 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 7/20 0.44
CA2 P00918 3/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
RECQL P46063 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.40
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL8437140 0.96 PRSS1 (0.48) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL2711461 0.96 CYP3A4 (0.52) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL23535097 0.95 CYP3A4 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28533413 0.95 CYP3A4 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28210169 0.95 CYP3A4 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28413577 0.95 CYP3A4 (0.50) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL28532182 0.91 LMNA (0.45) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL29027154 0.89 MMP9 (0.42) CYP3A4TSHRTDP1ATML3MBTL1
SCHEMBL25429197 0.89 LMNA (0.47) PRSS1PRSS2PRSS3CA2ZDHHC7
SCHEMBL30330949 0.89 LMNA (0.47) PRSS1PRSS2PRSS3CA2ZDHHC7

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-1840194-B1 Gear fluids AFTON CHEMICAL CORP (US) 2009-05-13 EP disclosed
US-7410935-B2 Gear fluids AFTON CHEMICAL CORPORATION (US) 2008-08-12 US disclosed
EP-1840194-A1 Gear fluids Afton Chemical Corporation (US) 2007-10-03 EP disclosed
US-20070225182-A1 Gear fluids AFTON CHEMICAL CORPORATION 2007-09-27 US disclosed
EP-1785475-A1 A gear additive composition Afton Chemical Corporation (US) 2007-05-16 EP disclosed
US-20070105729-A1 Gear additive composition AFTON CHEMICAL CORPORATION 2007-05-10 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-20070225182-A1 Gear fluids PHOSPHO1, F12, PIK3CA CYP3A4 4255/4885TSHR 2476/4885TDP1 1510/4885

“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.