SCHEMBL17070015

SCHEMBL17070015

O=[N+]([O-])/C=C/c1ccc(OCCOCCOCCOc2ccc(/C=C/[N+](=O)[O-])cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.62
TLR4 O00206 2/20 0.58
TLR2 O60603 2/20 0.58
EGFR P00533 3/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ERBB2 P04626 2/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL17070027 0.88 FBP1 (0.64) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL509743 0.85 TLR4 (0.71) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL509742 0.85 TLR4 (0.71) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL1524485 0.85 FBP1 (0.60) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL1524482 0.85 FBP1 (0.60) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL3829457 0.83 FBP1 (0.62) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL16632344 0.83 PTGS2 (0.69) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL16632342 0.83 PTGS2 (0.69) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL17070028 0.81 FBP1 (0.60) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL5688276 0.81 TLR4 (0.66) FBP1TLR4TLR2EGFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518009-B2 Multifunctional nitrileoxide compound DAIKIN INDUSTRIES, LTD. (JP) 2016-12-13 US disclosed
US-9518009-B2 Multifunctional nitrileoxide compound DAIKIN INDUSTRIES, LTD. (JP) 2016-12-13 US disclosed
US-20150251995-A1 MULTIFUNCTIONAL NITRILEOXIDE COMPOUND TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-09-10 US disclosed
US-20150251995-A1 MULTIFUNCTIONAL NITRILEOXIDE COMPOUND TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-09-10 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-20150251995-A1 MULTIFUNCTIONAL NITRILEOXIDE COMPOUND NOS2, NOS1, NOS3 FBP1 4257/4885TLR4 3763/4885TLR2 3655/4885

“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.