SCHEMBL17249387

SCHEMBL17249387

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
BLM P54132 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 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
SCHEMBL6077603 0.79
SCHEMBL6722103 0.79
SCHEMBL12556842 0.79
SCHEMBL15026862 0.79
SCHEMBL6719995 0.77
SCHEMBL16566061 0.77
SCHEMBL6719992 0.77
SCHEMBL800723 0.72 CA1 (0.55) BLMCA1
SCHEMBL20999895 0.72 CA1 (0.36) BLMCA1
SCHEMBL14481257 0.71

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-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

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-20170183280-A1 PROCESS FOR PRODUCING 2,6-DIMETHYL-5-HEPTEN-1-AL CYP8B1, CYP51A1, MSMO1 TSHR 4850/4885SLC6A2 4780/4885SLC6A4 4771/4885

“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.