SCHEMBL3269693

SCHEMBL3269693

C=CCONC(=O)OCCC(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CASP1 P29466 6/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GSR P00390 1/20 0.32
CCR5 P51681 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 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
SCHEMBL9879414 0.75 PKM (0.46) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL3490105 0.69 GSR (0.38) ALDH1A1MAPTNPSR1PTGS1PTGS2
SCHEMBL12993858 0.68 ALDH1A1 (0.47) ALDH1A1TSHRMAPTNPSR1NPC1
SCHEMBL27329088 0.67 GSR (0.39) CYP3A4ALDH1A1NPSR1CYP2C19GSR
SCHEMBL3024154 0.66 CA12 (0.44) CYP3A4ALDH1A1TSHRMAPTGSR
SCHEMBL475204 0.66 ALDH1A1 (0.43) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL1305450 0.66 CYP2C19 (0.46) ALDH1A1MAPTHTTNPSR1CYP2C19
SCHEMBL725647 0.66 CYP3A4 (0.43) CYP3A4CASP1ALDH1A1TSHRHSD17B10
SCHEMBL2555564 0.66 GABBR2 (0.47) TSHRMAPTCYP2C19GSR
SCHEMBL20592078 0.66 HRH1 (0.52) CYP3A4CHRNB2CHRNA4ALDH1A1TSHR

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-7846875-B2 Coupling agents comprising a photolabile protecting group and uses thereof, such as for the functionalisation of solid supports COMMISSARIAT A L 'ENERGIE ATOMIQUE (FR) 2010-12-07 US disclosed
EP-1778703-B1 COUPLING AGENTS COMPRISING A PHOTOLABILE PROTECTING GROUP AND USES THEREOF, SUCH AS FOR THE FUNCTIONALISATION OF SOLID SUPPORTS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-06-16 EP disclosed
US-20070298516-A1 Coupling Agents Comprising A Photolabile Protecting Group And Uses Thereof, Such As For The Functionalisation Of Solid Supports COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-12-27 US 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-20070298516-A1 Coupling Agents Comprising A Photolabile Protecting Group And Uses Thereof, Such As For The Functionalisation Of Solid Supports PCNA, MGMT, DNMT1 CYP3A4 3511/4885CHRNB2 4773/4885CHRNB4 4665/4885

“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.