SCHEMBL2592082

SCHEMBL2592082

CC=CCC(CC=C(C)C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.43
GRIK2 Q13002 3/20 0.43
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
CTSK P43235 2/20 0.34
KDM4E B2RXH2 1/20 0.31
ATM Q13315 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14482060 1.00 GRIK1 (0.43) GRIK1GRIK2FNTAFNTBCTSK
SCHEMBL2438781 0.80 GRIK1 (0.38) GRIK1GRIK2FNTAFNTB
SCHEMBL2438783 0.80 GRIK1 (0.38) GRIK1GRIK2FNTAFNTB
SCHEMBL3644901 0.78 GRIK1 (0.46) GRIK1GRIK2CTSK
SCHEMBL11396319 0.78 GRIK1 (0.46) GRIK1GRIK2CTSK
SCHEMBL2591191 0.77 GRIK1 (0.44) GRIK1GRIK2FNTAFNTB
SCHEMBL724992 0.73 FNTA (0.65) FNTAFNTBKDM4EATMPOLB
SCHEMBL940703 0.73 FNTA (0.65) FNTAFNTBKDM4EATMPOLB
SCHEMBL11672889 0.73 GRIK1 (0.39) GRIK1GRIK2FNTAFNTB
SCHEMBL15639480 0.72 FNTA (0.68) FNTAFNTBKDM4EATM

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-8809256-B2 2-hydroxy-6-methyl-heptane derivatives as perfuming ingredients FIRMENISH SA (CH) 2014-08-19 US disclosed
EP-2563752-B1 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2014-01-15 EP disclosed
EP-2563752-A1 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS Firmenich SA (CH) 2013-03-06 EP disclosed
US-20130011353-A1 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2013-01-10 US disclosed
WO-2011135487-A1 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-11-03 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-20130011353-A1 2-HYDROXY-6-METHYL-HEPTANE DERIVATIVES AS PERFUMING INGREDIENTS HTR3C, HMOX2, CYP8B1 GRIK1 3227/4885GRIK2 2030/4885FNTA 2227/4885

“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.