SCHEMBL7029758

SCHEMBL7029758

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
TTR P02766 8/20 0.54
GPR35 Q9HC97 6/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
HTR1A P08908 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
RARB P10826 1/20 0.54
COMT P21964 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADORA1 P30542 1/20 0.54
ADRA1A P35348 1/20 0.54
PTGS2 P35354 1/20 0.54
SLC6A3 Q01959 1/20 0.54
KCNH2 Q12809 1/20 0.54

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
SCHEMBL8082080 0.84 TSHR (0.56) GABRA1GABRB1TTRGPR35ABCC3
SCHEMBL8080499 0.83 VCAM1 (0.68) GABRA1GABRB1TTRGPR35ABCC3
SCHEMBL10620784 0.80 TTR (0.52) GABRA1GABRB1TTRGPR35ABCC3
SCHEMBL28078271 0.80 GABRA1 (0.78) GABRA1GABRB1SLC6A2ALDH1A1LMNA
SCHEMBL2416788 0.80 GABRA1 (0.62) GABRA1GABRB1TTRGPR35ABCC3
SCHEMBL11974263 0.79 GPR35 (0.69) TTRGPR35ABCC3ABCC4NR1I2
SCHEMBL29438512 0.79 GPR35 (0.61) TTRGPR35ALDH1A1KDM4EMEN1
SCHEMBL26521898 0.79 GABRA1 (0.53) GABRA1TTRGPR35PDK1ALDH1A1
SCHEMBL5082940 0.79 GPR35 (0.61) TTRGPR35ALDH1A1KDM4EMEN1
SCHEMBL8077304 0.79 GABRA1 (0.57) GABRA1GABRB1TTRGPR35PDK1

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 7 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

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 GABRA1 3463/4885GABRB1 2717/4885TTR 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.