SCHEMBL3064004

SCHEMBL3064004

COC(=O)c1c(C2OCCO2)c(C2OCCO2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP3A4 P08684 3/20 0.34
HPGD P15428 2/20 0.34
ABCC4 O15439 1/20 0.34
PLIN1 O60240 1/20 0.34
CACNA1F O60840 1/20 0.34
GMNN O75496 1/20 0.34
KCNK2 O95069 1/20 0.34
ABCB11 O95342 1/20 0.34
GSR P00390 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL27783481 0.78 MAPT (0.41) SMN1; SMN2KMT2AALDH1A1MAPTTDP1
SCHEMBL3074035 0.77 CYP3A4 (0.38) SMN1; SMN2KMT2AALDH1A1MAPTKDM4E
SCHEMBL31056786 0.71 VCAM1 (0.50) SMN1; SMN2KMT2AALDH1A1MAPTHPGD
SCHEMBL3076329 0.71 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD
SCHEMBL3058533 0.68 KDM4E (0.39) SMN1; SMN2KMT2AALDH1A1KDM4EHPGD
SCHEMBL14691018 0.68 VCAM1 (0.53) SMN1; SMN2KMT2AALDH1A1MAPTHPGD
SCHEMBL3058649 0.68 KDM4E (0.34) SMN1; SMN2ALDH1A1KDM4EHPGDTP53
SCHEMBL12190644 0.68 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AALDH1A1MAPTTDP1
SCHEMBL28960205 0.68 ALDH1A1 (0.41) SMN1; SMN2KMT2AALDH1A1MAPTTDP1
SCHEMBL3076346 0.67 KDM4E (0.43) SMN1; SMN2ALDH1A1MAPTKDM4EHPGD

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-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
EP-2167484-B1 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
EP-2167484-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES Syngeta Participations AG (CH) 2010-03-31 EP disclosed
WO-2009010260-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-22 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-20100273830-A1 NOVEL INSECTICIDES NR5A2, NR2C2, NOX5 SMN1; SMN2 1261/4885KMT2A 1719/4885ALDH1A1 1573/4885

“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.