SCHEMBL3666732

SCHEMBL3666732

CCC(C)CCCCOC(=O)OCCCCC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NAAA Q02083 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
EPHX1 P07099 1/20 0.34
ACHE P22303 4/20 0.33
TSHR P16473 2/20 0.33
ATM Q13315 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
SCHEMBL14991536 0.94 ALDH1A1 (0.39) ACE2ALDH1A1NAAAHRH4HRH3
SCHEMBL9617577 0.92 ACE2 (0.35) ACE2ALDH1A1NAAAHRH4HRH3
SCHEMBL28418967 0.86 TSHR (0.44) ACE2ALDH1A1NAAAHRH4HRH3
SCHEMBL3088928 0.85 ALDH1A1 (0.42) ALDH1A1HRH4HRH3CA1CA2
SCHEMBL756657 0.84 ALDH1A1 (0.52) ACE2ALDH1A1NAAAEPHX1TSHR
SCHEMBL368275 0.84 ALDH1A1 (0.52) ACE2ALDH1A1NAAAEPHX1TSHR
SCHEMBL1301124 0.84 ALDH1A1 (0.52) ACE2ALDH1A1NAAAEPHX1TSHR
SCHEMBL1301422 0.84 ALDH1A1 (0.52) ACE2ALDH1A1NAAAEPHX1TSHR
SCHEMBL20377653 0.84 ALDH1A1 (0.52) ACE2ALDH1A1NAAAEPHX1TSHR
SCHEMBL1301841 0.84 ALDH1A1 (0.52) ACE2ALDH1A1NAAAEPHX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130144080-A1 PROCESS FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL BASF SE (DE) 2013-06-06 US disclosed
EP-2167014-A2 SILICONE-ORGANIC GELS WITH POLYALKYLOXYLENE CROSSLINKED SILICONE ELASTOMERS Dow Corning Corporation (US) 2010-03-31 EP disclosed
WO-2009006091-A2 SILICONE-ORGANIC GELS WITH POLYALKYLOXYLENE CROSSLINKED SILICONE ELASTOMERS DOW CORNING CORPORATION (US) 2009-01-08 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 (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-20130144080-A1 PROCESS FOR OBTAINING A DIALKYL CARBONATE AND AN ALKYLENE GLYCOL AGL, GNE, ADH1C ACE2 2024/4885ALDH1A1 2328/4885NAAA 982/4885

“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.