SCHEMBL4258532

SCHEMBL4258532

Cc1cc(C=Cc2ccc([N+](=O)[O-])cc2)cc(C)c1OC(=O)c1cc(C=Cc2ccc([N+](=O)[O-])cc2)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.52
PTGS1 P23219 2/20 0.52
MAOB P27338 2/20 0.47
CYP19A1 P11511 2/20 0.45
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 1/20 0.42
PELI1 Q96FA3 1/20 0.41
KRAS P01116 1/20 0.41

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
SCHEMBL4258538 0.81 PTPN1 (0.58) PTGS2PTGS1MAOBHSPD1HSPE1
SCHEMBL4258531 0.81 PTPN1 (0.58) PTGS2PTGS1MAOBHSPD1HSPE1
SCHEMBL3667180 0.77 PTPN1 (0.73) PTGS2PTGS1MAOBHSPD1HSPE1
SCHEMBL3667178 0.77 PTPN1 (0.73) PTGS2PTGS1MAOBHSPD1HSPE1
SCHEMBL3675450 0.75 PTGS2 (0.71) PTGS2PTGS1MAOBCYP19A1APP
SCHEMBL3675448 0.75 PTGS2 (0.71) PTGS2PTGS1MAOBCYP19A1APP
SCHEMBL12644210 0.73 KMT2A (0.55) PTGS2PTGS1MAOBALDH1A1KMT2A
SCHEMBL9828022 0.72 ALDH1A1 (0.63) PTGS2PTGS1MAOBCYP19A1ALDH1A1
SCHEMBL9828020 0.72 ALDH1A1 (0.63) PTGS2PTGS1MAOBCYP19A1ALDH1A1
SCHEMBL3672520 0.72 PTGS2 (0.75) PTGS2PTGS1CYP19A1HSPD1HSPE1

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 PTGS2 181/4885PTGS1 183/4885MAOB 591/4885

“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.