SCHEMBL7123712

SCHEMBL7123712

CC(C)(c1cc(F)c(O)c([N+](=O)[O-])c1)c1cc(F)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.77
TTR P02766 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
XDH P47989 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL69563 0.87 GPR35 (1.00) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL10671642 0.84 ALDH1A1 (0.58) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL23421720 0.82 GPR35 (0.51) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL7021569 0.80 GPR35 (0.72) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL7028676 0.78 GPR35 (0.74) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL7024419 0.77 GPR35 (0.72) GPR35TTRALDH1A1MEN1MAPT
SCHEMBL544725 0.77 ALOX15 (0.52) GPR35ALDH1A1RECQLTDP1HPGD
SCHEMBL1943304 0.77 GPR35 (0.74) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL2078816 0.76 TTR (0.57) GPR35TTRALDH1A1KDM4EMEN1
SCHEMBL690829 0.76 GPR35 (0.78) GPR35TTRALDH1A1KDM4EMEN1

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 2 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

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 3425/4885TTR 917/4885ALDH1A1 1215/4885

“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.