SCHEMBL5576209

SCHEMBL5576209

COc1cc(OCC(=O)O)c(C=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1-c1cccs1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 20/20 0.69

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
SCHEMBL5576206 1.00 TNFRSF1A (0.69) TNFRSF1A
SCHEMBL5575949 0.99 TNFRSF1A (0.68) TNFRSF1A
SCHEMBL5575945 0.99 TNFRSF1A (0.68) TNFRSF1A
SCHEMBL5571665 0.96 TNFRSF1A (0.69) TNFRSF1A
SCHEMBL5571667 0.96 TNFRSF1A (0.69) TNFRSF1A
SCHEMBL5573363 0.95 TNFRSF1A (0.68) TNFRSF1A
SCHEMBL5573369 0.95 TNFRSF1A (0.68) TNFRSF1A
SCHEMBL5574915 0.93 TNFRSF1A (0.76) TNFRSF1A
SCHEMBL5574918 0.93 TNFRSF1A (0.76) TNFRSF1A
SCHEMBL5574944 0.93 TNFRSF1A (0.75) TNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders MENG CHARLES Q 2006-11-16 US claimed
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS PHARMACEUTICALS, INC. 2003-12-25 US claimed
US-6608101-B1 Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; ATHEROGENICS, INC. 2003-08-19 US claimed
US-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 US disclosed
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders MENG CHARLES Q 2006-11-16 US disclosed
US-7078431-B2 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS, INC. (US) 2006-07-18 US disclosed
US-20040023233-A1 Protection against oxidative stress and inflammation by a cytoprotective response element CRABTREE ACQUISITION CO, LLC 2004-02-05 US disclosed
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS PHARMACEUTICALS, INC. 2003-12-25 US disclosed
US-6608101-B1 Inflammatory disorders; 3-(2,4-dimethoxy-5-(thien-2-yl)phenyl)-1-(4-carboxymethoxy-3,5 -dimethoxyphenyl)-2-propen-1-one; ATHEROGENICS, INC. 2003-08-19 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 (3 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-20040023233-A1 Protection against oxidative stress and inflammation by a cytoprotective response element ATF4, HSF1, DDIT3 TNFRSF1A 1169/4885
US-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 TNFRSF1A 183/4885
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 TNFRSF1A 183/4885

“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.