SCHEMBL1783088

SCHEMBL1783088

CC(=O)CCCC(C)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
PTPN1 P18031 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 1/20 0.38
PAOX Q6QHF9 1/20 0.38
BLM P54132 1/20 0.38
KISS1R Q969F8 1/20 0.37
KDM1A O60341 1/20 0.37
CA1 P00915 2/20 0.34
LMNA P02545 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
SLC15A2 Q16348 1/20 0.33
SLC7A5 Q01650 1/20 0.33
PLA2G10 O15496 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL15821251 0.91 PAOX (0.45) ALDH1A1TDP1ACHEPAOXBLM
SCHEMBL9051529 0.91 PAOX (0.45) ALDH1A1TDP1ACHEPAOXBLM
SCHEMBL15821253 0.91 PAOX (0.45) ALDH1A1TDP1ACHEPAOXBLM
SCHEMBL1783436 0.86 ALDH1A1 (0.43) ALDH1A1TDP1BLMKISS1RKDM1A
SCHEMBL31679569 0.83 ALDH1A1 (0.45) ALDH1A1PTPN1TDP1ACHEPAOX
SCHEMBL2170368 0.82 PLA2G10 (0.47) BLMLMNAPLA2G10
SCHEMBL14249112 0.82 BLM (0.57) ALDH1A1PTPN1TDP1ACHEPAOX
SCHEMBL14249069 0.82 BLM (0.57) ALDH1A1PTPN1TDP1ACHEPAOX
SCHEMBL7943009 0.82 BLM (0.57) ALDH1A1PTPN1TDP1ACHEPAOX
SCHEMBL2350917 0.82 BLM (0.57) ALDH1A1PTPN1TDP1ACHEPAOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000771-B1 2,5,7-TRIMETHYLOCTANE-3-OL AND 2,4-DIMETHYLNONANE-8-OL; PROCESSES FOR THEIR PREPARATION; THEIR USE AS OLFACTORY AGENTS; OLFACTORY COMPOSITIONS CONTAINING THEM, AS WELL AS THE PREPARATION OF SUCH OLFACTORY COMPOSITIONS L. Givaudan & Cie Société Anonyme (CH) 1981-09-16 EP claimed
EP-0000771-A2 2,5,7-Trimethyloctane-3-ol and 2,4-dimethylnonane-8-ol; processes for their preparation; their use as olfactory agents; olfactory compositions containing them, as well as the preparation of such olfactory compositions L. Givaudan & Cie Société Anonyme (CH) 1979-02-21 EP claimed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-0000771-B1 2,5,7-TRIMETHYLOCTANE-3-OL AND 2,4-DIMETHYLNONANE-8-OL; PROCESSES FOR THEIR PREPARATION; THEIR USE AS OLFACTORY AGENTS; OLFACTORY COMPOSITIONS CONTAINING THEM, AS WELL AS THE PREPARATION OF SUCH OLFACTORY COMPOSITIONS L. Givaudan & Cie Société Anonyme (CH) 1981-09-16 EP disclosed
US-4198532-A 2,5,7-TIRMETHYL-OCTAN-3-OL OR 6,8-DIMETHYL-NONAN-2-OL GIVAUDAN CORPORATION (US) 1980-04-15 US disclosed
EP-0000771-A2 2,5,7-Trimethyloctane-3-ol and 2,4-dimethylnonane-8-ol; processes for their preparation; their use as olfactory agents; olfactory compositions containing them, as well as the preparation of such olfactory compositions L. Givaudan & Cie Société Anonyme (CH) 1979-02-21 EP 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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 ALDH1A1 520/4885PTPN1 4528/4885TDP1 3995/4885

“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.