SCHEMBL3185672

SCHEMBL3185672

O=[C]Oc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
VCAM1 P19320 2/20 0.47
LMNA P02545 4/20 0.44
TSHR P16473 2/20 0.43
HTT P42858 3/20 0.42
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
XDH P47989 1/20 0.37
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TTR P02766 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL54362 0.80 TSHR (0.57) LMNATSHRHTTALDH1A1MEN1
SCHEMBL8432 0.78 HSPB1 (0.52) LMNAHTTCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL96702 0.77 GPR35 (0.47) CYP19A1VCAM1LMNATSHRHTT
SCHEMBL212845 0.75 CYP19A1 (0.81) CYP19A1VCAM1LMNATSHRHTT
SCHEMBL7297188 0.75 MAPK1 (0.34) VCAM1LMNATSHRHTTCYP3A4
SCHEMBL28843785 0.74 ALDH1A1 (0.55) VCAM1LMNATSHRHTTSMN1; SMN2
SCHEMBL9808021 0.73 CYP19A1 (0.54) CYP19A1VCAM1LMNATSHRHTT
SCHEMBL28104136 0.73 CYP19A1 (0.54) CYP19A1VCAM1LMNATSHRHTT
SCHEMBL309863 0.73 LMNA (0.61) CYP19A1VCAM1LMNATSHRHTT
SCHEMBL9789472 0.72 CYP19A1 (0.77) CYP19A1VCAM1LMNATSHRHTT

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-7659416-B2 Monomolecular conductive complex, conductive self-assembled film and assembly of electrode composed of metal and semiconductor making use of the same TOKYO INSTITUTE OF TECHNOLOGY (JP) 2010-02-09 US disclosed
US-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same TOKYO INSTITUTE OF TECHNOLOGY 2009-02-05 US disclosed
EP-1862453-A1 MONOMOLECULAR CONDUCTIVE COMPLEX, CONDUCTIVE SELF-ASSEMBLED FILM AND ASSEMBLY OF ELECTRODE COMPOSED OF METAL AND SEMICONDUCTOR MAKING USE OF THE SAME Tokyo Institute of Technology (JP) 2007-12-05 EP 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-20090036698-A1 Monomolecular Conductive Complex, Conductive Self-Assembled Film and Assembly of Electrode Composed of Metal and Semiconductor Making Use of the Same CNTN1, GAP43, AP3M1 CYP19A1 2730/4885VCAM1 1600/4885LMNA 2051/4885

“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.