SCHEMBL2587476

SCHEMBL2587476

CC(=O)[CH]CCCCCCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
LMNA P02545 1/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM4A O75164 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
BLM P54132 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
PTPN1 P18031 1/20 0.34
CETP P11597 1/20 0.34
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL130601 0.81
SCHEMBL1275698 0.80 KDM1A (0.44) KDM1ALMNAKDM4CKDM4APHF8
SCHEMBL9954779 0.79 KDM4C (0.42) KDM1ALMNAKDM4CKDM4APHF8
SCHEMBL487125 0.78 TSHR (0.38) KDM1ALMNAKDM4CKDM4APHF8
SCHEMBL8744325 0.78 KDM4C (0.38) KDM1ALMNAKDM4CKDM4APHF8
SCHEMBL24479774 0.77 ALDH1A1 (0.46) KDM1ALMNABLMALDH1A1MAPT
SCHEMBL27723066 0.75 LMNA (0.34) KDM1ALMNAPTPN1
Acetic Acid SCHEMBL38659994 0.75 MAPT (0.50) KDM1ALMNAKDM4CKDM4APHF8
SCHEMBL19372057 0.75 TSHR (0.39) KDM1ALMNAKDM4CKDM4APHF8
SCHEMBL28955191 0.75 TSHR (0.50) LMNABLMMAPTPTPN1USP2

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 KDM1A 1358/4885LMNA 1909/4885KDM4C 1077/4885

“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.