SCHEMBL7250438

SCHEMBL7250438

Cc1ccc(-c2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.57
GSTP1 P09211 2/20 0.51
MAPK1 P28482 2/20 0.50
MAOB P27338 4/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 3/20 0.46
HPRT1 P00492 1/20 0.46
TOP1 P11387 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46

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
SCHEMBL7251777 0.91 PTGES (0.60) PTGESGSTP1MAPK1MAOBMAPT
SCHEMBL7251545 0.90 PTGES (0.57) PTGESGSTP1MAPK1MAOBMAPT
SCHEMBL7256025 0.89 PTGES (0.61) PTGESGSTP1MAPK1MAOBMAPT
SCHEMBL1181925 0.89 PTGES (0.58) PTGESGSTP1MAPK1MAPTMEN1
SCHEMBL4204697 0.88 PTGES (0.57) PTGESGSTP1MAPK1MAOBMAPT
SCHEMBL7250749 0.88 PTGES (0.57) PTGESGSTP1MAPK1MAOBMAPT
SCHEMBL7257197 0.87 PTGES (0.54) PTGESGSTP1MAPK1MAPTMEN1
SCHEMBL7251977 0.87 PTGES (0.54) PTGESGSTP1MAPK1MAOBMAPT
SCHEMBL1182264 0.87 PTGES (0.54) PTGESGSTP1MAPK1MAOBMAPT
SCHEMBL7250393 0.84 PTGES (0.57) PTGESGSTP1MAPK1MAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030040538-A1 Novel substituted tricyclic compounds ASAHI-KASEI KABUSHIKI KAISHA (JP) 2003-02-27 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-20030040538-A1 Novel substituted tricyclic compounds CPT1A, CBR1, NR1H3 PTGES 2801/4885GSTP1 984/4885MAPK1 1963/4885

“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.