SCHEMBL7103159

SCHEMBL7103159

O=C(c1ccc(O)c([N+](=O)[O-])c1)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.65
MAPK1 P28482 4/20 0.60
GPR35 Q9HC97 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TTR P02766 5/20 0.57
ABCC3 O15438 1/20 0.57
ABCC4 O15439 1/20 0.57
NR1I2 O75469 1/20 0.57
ABCB11 O95342 1/20 0.57
NR3C1 P04150 1/20 0.57
PGR P06401 1/20 0.57
HTR1A P08908 1/20 0.57
ADORA3 P0DMS8 1/20 0.57

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
SCHEMBL867944 0.91 VCAM1 (0.69) VCAM1MAPK1GPR35ALDH1A1HPGD
Arsenic SCHEMBL28025098 0.90 VCAM1 (0.68) VCAM1MAPK1GPR35ALDH1A1HPGD
Methane SCHEMBL27604929 0.90 VCAM1 (0.68) VCAM1MAPK1GPR35ALDH1A1HPGD
SCHEMBL10037252 0.90 TTR (0.73) VCAM1MAPK1GPR35ALDH1A1HPGD
Methane SCHEMBL28199058 0.90 VCAM1 (0.68) VCAM1MAPK1GPR35ALDH1A1HPGD
SCHEMBL29634883 0.90 TTR (0.73) VCAM1MAPK1GPR35ALDH1A1HPGD
SCHEMBL2156599 0.88 MAPK1 (0.60) VCAM1MAPK1GPR35ALDH1A1HPGD
SCHEMBL106249 0.86 CASP6 (0.72) MAPK1GPR35ALDH1A1HPGDTP53
SCHEMBL2636747 0.86 CASP6 (0.72) MAPK1GPR35ALDH1A1HPGDTP53
SCHEMBL27602539 0.86 VCAM1 (0.62) VCAM1MAPK1GPR35ALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1216851-C Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2005-08-31 CN disclosed
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
CN-1426390-A Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2003-06-25 CN 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
US-5977413-A Method for producing bis(3-amino-4-hydroxyphenyl) compounds NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0895985-A2 Method for producing bis(3-amino-4-hydroxyphenyl) compounds Nippon Kayaku Kabushiki Kaisha (JP) 1999-02-10 EP disclosed
US-3862936-A Mannich derivatives of 4,4{40 -dihydroxy-3,3{40 dinitrobenzophenone GESCHICKTER FUND MED RES 1975-01-28 US 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 VCAM1 3145/4885MAPK1 2163/4885GPR35 3425/4885

“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.