SCHEMBL4255407

SCHEMBL4255407

COCOc1ccc(C=CC=Cc2ccc([N+](=O)[O-])cc2)cc1OCOC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
CYP19A1 P11511 2/20 0.60
MAPT P10636 7/20 0.56
APP P05067 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TLR9 Q9NR96 1/20 0.48
PTGS1 P23219 2/20 0.48
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NTSR1 P30989 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.43
KRAS P01116 1/20 0.43
VCP P55072 1/20 0.43

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
SCHEMBL4255405 1.00 PTGS2 (0.60) PTGS2CYP19A1MAPTAPPSMN1; SMN2
SCHEMBL4257045 0.95 PTGS2 (0.69) PTGS2CYP19A1MAPTAPPSMN1; SMN2
SCHEMBL4257048 0.95 PTGS2 (0.69) PTGS2CYP19A1MAPTAPPSMN1; SMN2
SCHEMBL4262283 0.95 PTGS2 (0.68) PTGS2CYP19A1MAPTAPPSMN1; SMN2
SCHEMBL4262277 0.95 PTGS2 (0.68) PTGS2CYP19A1MAPTAPPSMN1; SMN2
SCHEMBL4260145 0.90 PTGS2 (0.77) PTGS2CYP19A1MAPTSMN1; SMN2LMNA
SCHEMBL4260150 0.90 PTGS2 (0.77) PTGS2CYP19A1MAPTSMN1; SMN2LMNA
SCHEMBL4259259 0.84 PTGS2 (0.60) PTGS2CYP19A1MAPTAPPSMN1; SMN2
SCHEMBL4259262 0.84 PTGS2 (0.60) PTGS2CYP19A1MAPTAPPSMN1; SMN2
SCHEMBL4257401 0.83 PTGS2 (0.59) PTGS2CYP19A1MAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 US claimed
US-7629375-B2 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 2009-12-08 US disclosed
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2006-08-10 US disclosed
US-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER INC. 2005-06-30 US disclosed
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods GALILEO PHARMACEUTICALS, INC. 2005-05-26 US disclosed
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2003-04-17 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 (4 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-20050142155-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885
US-20030073712-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885
US-20050113416-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885
US-20060178356-A1 Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods HSF1, HMOX1, NQO1 PTGS2 181/4885CYP19A1 2245/4885MAPT 2548/4885

“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.