SCHEMBL1783857

SCHEMBL1783857

CC(=O)C1CCC(C)C1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
RAB9A P51151 1/20 0.33
CES2 O00748 1/20 0.32
CHRNB2 P17787 4/20 0.30
CHRNA3 P32297 4/20 0.30
CHRNA4 P43681 4/20 0.30
CHRNB3 Q05901 4/20 0.30
CHRNA6 Q15825 4/20 0.30
PPP5C P53041 1/20 0.30

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
SCHEMBL3788011 0.85 EPHX1 (0.46) EPHX1
SCHEMBL12806438 0.83
SCHEMBL10148578 0.83
SCHEMBL18998472 0.77
SCHEMBL16923257 0.77
SCHEMBL14531784 0.77
SCHEMBL12978766 0.77
SCHEMBL18828590 0.77
SCHEMBL18998461 0.77
SCHEMBL2631831 0.77

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
US-9765003-B2 Process for producing 2,6-dimethyl-5-hepten-1-al BASF SE (DE) 2017-09-19 US disclosed
US-9765003-B2 Process for producing 2,6-dimethyl-5-hepten-1-al BASF SE (DE) 2017-09-19 US disclosed
US-20170183280-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL BASF SE (DE) 2017-06-29 US disclosed
US-20170183280-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL BASF SE (DE) 2017-06-29 US disclosed
WO-2015169721-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL BASF SE (DE) 2015-11-12 WO disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 EPHX1 390/4885RAB9A 4202/4885CES2 1371/4885
US-20170183280-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL CYP8B1, CYP51A1, MSMO1 EPHX1 1363/4885RAB9A 4489/4885CES2 3352/4885

“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.