SCHEMBL7024419

SCHEMBL7024419

COc1cc(C(C)(C)c2cc(OC)c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.72
EGFR P00533 1/20 0.51
TTR P02766 1/20 0.49
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
JUN P05412 1/20 0.47
RAB9A P51151 1/20 0.46
GFER P55789 1/20 0.46
ERN1 O75460 1/20 0.44
GRM8 O00222 1/20 0.44
GRM4 Q14833 1/20 0.44
CYP2D6 P10635 1/20 0.42

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
SCHEMBL12118500 0.90 GPR35 (0.57) GPR35EGFRTTRMAPTSMN1; SMN2
SCHEMBL69563 0.84 GPR35 (1.00) GPR35TTRMAPTSMN1; SMN2MEN1
SCHEMBL7028726 0.83 GPR35 (0.66) GPR35EGFRTTRMAPTSMN1; SMN2
SCHEMBL23751958 0.80 TTR (0.61) GPR35EGFRTTRMAPTSMN1; SMN2
SCHEMBL2230896 0.78 LMNA (0.48) GPR35MAPTGAAKMT2AALDH1A1
SCHEMBL8580120 0.78 ERN1 (0.64) GPR35EGFRTTRMAPTSMN1; SMN2
SCHEMBL11070819 0.78 GPR35 (0.69) GPR35EGFRTTRMAPTSMN1; SMN2
SCHEMBL7123712 0.77 GPR35 (0.77) GPR35TTRMAPTMEN1KMT2A
SCHEMBL2086467 0.77 ERN1 (0.54) GPR35EGFRTTRMAPTSMN1; SMN2
SCHEMBL20022338 0.77 TTR (0.66) GPR35EGFRTTRMAPTSMN1; SMN2

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-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

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 GPR35 3425/4885EGFR 3916/4885TTR 917/4885

“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.