SCHEMBL7029555

SCHEMBL7029555

O=[N+]([O-])C1([N+](=O)[O-])CC(c2ccc(O)cc2)=CC=C1O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
EGFR P00533 1/20 0.32
FBP1 P09467 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
QDPR P09417 1/20 0.31

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
SCHEMBL18663392 0.73 SMN1; SMN2 (0.36) SMN1; SMN2ESR1ESR2QDPR
SCHEMBL4612359 0.70 SMN1; SMN2 (0.39) SMN1; SMN2ESR1ESR2QDPR
SCHEMBL6539105 0.70 SMN1; SMN2 (0.39) SMN1; SMN2ESR1ESR2QDPR
SCHEMBL5077540 0.70 SMN1; SMN2 (0.46) SMN1; SMN2ESR1ESR2QDPR
SCHEMBL1065980 0.70 SMN1; SMN2 (0.39) SMN1; SMN2ESR1ESR2QDPR
SCHEMBL28874397 0.69 RAB9A (0.36) SMN1; SMN2
SCHEMBL28785854 0.68 CRHBP (0.34)
SCHEMBL2720984 0.65 ESR1 (0.56) SMN1; SMN2ESR1ESR2QDPR
Hydrogen Sulfide SCHEMBL22229827 0.65 MMP3 (0.39) SMN1; SMN2ESR1ESR2QDPR
Hydroquinone SCHEMBL28278112 0.60 CA1 (0.53) EGFRFBP1ESR1ESR2

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-6608233-B2 Nitrating a bis(4-hydroxyphenyl) bonded to each other or through an electron-donating bridging group, sulfoxide, sulfone or carbonyl group using nitric acid in a solvent and free from other acids NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-08-19 US disclosed
US-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-03-20 US disclosed
EP-1277727-A1 PROCESS FOR PRODUCING BIS(4-HYDROXY-3-NITROPHENYL) COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2003-01-22 EP disclosed
EP-0895985-A2 Method for producing bis(3-amino-4-hydroxyphenyl) compounds Nippon Kayaku Kabushiki Kaisha (JP) 1999-02-10 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-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NOS3, NOS2, NOS1 SMN1; SMN2 979/4885EGFR 3916/4885FBP1 2992/4885

“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.