SCHEMBL7218609

SCHEMBL7218609

COc1cccc(/C=C(\C)[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.46
PRMT1 Q99873 1/20 0.46
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
TLR2 O60603 1/20 0.45
ERN1 O75460 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 3/20 0.44
AR P10275 1/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL7218614 1.00 FBP1 (0.46) FBP1PRMT1GAAGFERTLR2
SCHEMBL8129328 0.86 FBP1 (0.54) FBP1PRMT1TLR2ERN1TLR1
SCHEMBL8627945 0.85 PRMT1 (0.60) FBP1PRMT1TLR2ERN1TLR1
SCHEMBL8627943 0.85 PRMT1 (0.60) FBP1PRMT1TLR2ERN1TLR1
SCHEMBL16930178 0.84 ALDH1A1 (0.46) FBP1PRMT1TLR2ERN1TLR1
SCHEMBL16930180 0.84 ALDH1A1 (0.46) FBP1PRMT1TLR2ERN1TLR1
SCHEMBL16954416 0.81 PRMT1 (0.50) PRMT1GAAGFERTLR2ERN1
SCHEMBL10779547 0.81 FBP1 (0.51) FBP1PRMT1TLR2ERN1TLR1
SCHEMBL10779544 0.81 FBP1 (0.51) FBP1PRMT1TLR2ERN1TLR1
SCHEMBL6341533 0.81 MAPT (0.48) PRMT1GAAGFERTLR2ERN1

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-6653304-B2 Antiarthritic agents; skin disorders; anticarcinogenic agents BRISTOL-MYERS SQUIBB CO. 2003-11-25 US disclosed
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
US-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases BRISTOL-MYERS SQUIBB COMPANY 2002-08-29 US disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 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-20020119972-A1 Cannabinoid receptor modulators, their processes of preparation, and use of cannabinoid receptor modulators for treating respiratory and non-respiratory diseases CNR1, CNR2, GPR18 FBP1 2208/4885PRMT1 494/4885GAA 4268/4885

“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.