SCHEMBL3302858

SCHEMBL3302858

CCCCOC(CC)O[N+](=O)OC(CC)OCCCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.32
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL3302854 0.86 ALDH1A1 (0.37) CA1CA2CYP3A4DNM1ALDH1A1
SCHEMBL3305117 0.81 TSHR (0.36) CA1CA2CYP3A4ALDH1A1
SCHEMBL2311733 0.79 ADRB2 (0.41) CA1CA2CYP3A4DNM1ALDH1A1
SCHEMBL28261946 0.75 ADRB2 (0.38) CA1CA2CYP3A4DNM1ALDH1A1
SCHEMBL6375692 0.75 ADRB2 (0.38) CA1CA2CYP3A4DNM1ALDH1A1
SCHEMBL26986860 0.73 ADRB2 (0.36) CA1CA2CYP3A4DNM1ALDH1A1
SCHEMBL6376742 0.73 ADRB2 (0.36) CA1CA2CYP3A4DNM1ALDH1A1
SCHEMBL438937 0.73 ADRB2 (0.36) CA1CA2CYP3A4DNM1ALDH1A1
SCHEMBL3296816 0.72 CYP3A4 (0.30) CYP3A4
SCHEMBL6895597 0.71 ADRB2 (0.35) CA1CA2CYP3A4DNM1ALDH1A1

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
EP-2158309-A1 CETANE NUMBER INCREASING PROCESS AND ADDITIVE FOR DIESEL FUEL Petroleo Brasileiro S.A. Petrobras (BR) 2010-03-03 EP claimed
WO-2008129226-A1 CETANE NUMBER INCREASING PROCESS AND ADDITIVE FOR DIESEL FUEL PETROLEO BRASILEIRO S.A. - PETROBRAS (BR) 2008-10-30 WO claimed
US-20100094062-A1 CETANE NUMBER INCREASING PROCESS AND ADDITIVE FOR DIESEL FUEL PETROLEO BRASILEIRO S.A. - PETROBRAS (BR) 2010-04-15 US disclosed
EP-2158309-A1 CETANE NUMBER INCREASING PROCESS AND ADDITIVE FOR DIESEL FUEL Petroleo Brasileiro S.A. Petrobras (BR) 2010-03-03 EP disclosed
WO-2008129226-A1 CETANE NUMBER INCREASING PROCESS AND ADDITIVE FOR DIESEL FUEL PETROLEO BRASILEIRO S.A. - PETROBRAS (BR) 2008-10-30 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-20100094062-A1 CETANE NUMBER INCREASING PROCESS AND ADDITIVE FOR DIESEL FUEL CETP, NR1H2, NR1H3 CA1 3465/4885CA2 1390/4885CYP3A4 569/4885

“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.