SCHEMBL7028476

SCHEMBL7028476

COC(=O)c1cc(-c2cc(C(=O)OC)c(O)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.56
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
GPR35 Q9HC97 3/20 0.46
ABCB1 P08183 3/20 0.44
ABCC1 P33527 3/20 0.44
SIRT6 Q8N6T7 1/20 0.44
VCAM1 P19320 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL30098373 0.85 GPR35 (0.56) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL591200 0.85 GPR35 (0.56) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL11067071 0.85 GPR35 (0.62) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4301550 0.85 MEN1 (0.52) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL207052 0.84 ERN1 (0.50) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL205671 0.84 TTR (0.50) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL29858635 0.84 TTR (0.50) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2310798 0.84 TDP1 (0.48) ERN1CRHBPCRHR2PDGFRBFGFR1
SCHEMBL1734996 0.84 TDP1 (0.45) ERN1PDGFRBFGFR1PDGFRAFLT1
SCHEMBL7025831 0.83 PDGFRB (0.47) ERN1CRHBPCRHR2PDGFRBFGFR1

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 ERN1 2828/4885CRHBP 3061/4885CRHR2 4709/4885

“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.