SCHEMBL4258538

SCHEMBL4258538

Cc1cc(C=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O.O=C(O)c1cc(C=Cc2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.58
PTPN2 P17706 1/20 0.58
PTPN6 P29350 1/20 0.58
PTGS2 P35354 3/20 0.57
HNF4A P41235 1/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGS1 P23219 1/20 0.51
MAOB P27338 2/20 0.49
PIM1 P11309 1/20 0.49
LCK P06239 1/20 0.47
TTR P02766 1/20 0.47
HSPD1 P10809 1/20 0.46
HSPE1 P61604 1/20 0.46
APP P05067 4/20 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
SCHEMBL4258531 1.00 PTPN1 (0.58) PTPN1PTPN2PTPN6PTGS2HNF4A
SCHEMBL3667180 0.90 PTPN1 (0.73) PTPN1PTPN2PTPN6PTGS2HNF4A
SCHEMBL3667178 0.90 PTPN1 (0.73) PTPN1PTPN2PTPN6PTGS2HNF4A
SCHEMBL3675448 0.85 PTGS2 (0.71) PTGS2PTGS1MAOBTTRAPP
SCHEMBL3675450 0.85 PTGS2 (0.71) PTGS2PTGS1MAOBTTRAPP
SCHEMBL4258532 0.81 PTGS2 (0.52) PTPN1PTPN2PTPN6PTGS2ALDH1A1
SCHEMBL16674463 0.77 PTPN1 (0.80) PTPN1PTPN2PTPN6PTGS2HNF4A
SCHEMBL6266631 0.77 PTPN1 (1.00) PTPN1PTPN2PTPN6PTGS2HNF4A
SCHEMBL6266629 0.77 PTPN1 (1.00) PTPN1PTPN2PTPN6PTGS2HNF4A
SCHEMBL29938670 0.77 PTPN1 (1.00) PTPN1PTPN2PTPN6PTGS2HNF4A

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-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 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-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTPN1 4044/4885PTPN2 3674/4885PTPN6 3507/4885

“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.