SCHEMBL5575698

SCHEMBL5575698

COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(-c2cccs2)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 9/20 0.71
TUBB1 Q9H4B7 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 2/20 0.58
TP53 P04637 2/20 0.58
CYP3A4 P08684 2/20 0.58
HPGD P15428 2/20 0.58
KMT2A Q03164 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CASP7 P55210 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MCL1 Q07820 3/20 0.57
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP1B1 Q16678 1/20 0.53
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.50
APP P05067 1/20 0.49

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
SCHEMBL5576005 1.00 TNFRSF1A (0.71) TNFRSF1ATUBB1ALDH1A1MAPTMEN1
SCHEMBL5571761 0.86 TNFRSF1A (0.81) TNFRSF1ATUBB1ALDH1A1MAPTMEN1
SCHEMBL5571769 0.86 TNFRSF1A (0.81) TNFRSF1ATUBB1ALDH1A1MAPTMEN1
SCHEMBL5960655 0.85 TNFRSF1A (0.76) TNFRSF1AALDH1A1MAPTMEN1TP53
SCHEMBL5960653 0.85 TNFRSF1A (0.76) TNFRSF1AALDH1A1MAPTMEN1TP53
SCHEMBL5574899 0.83 TNFRSF1A (1.00) TNFRSF1ATUBB1
SCHEMBL5574901 0.83 TNFRSF1A (1.00) TNFRSF1ATUBB1
SCHEMBL4728384 0.83 TNFRSF1A (0.74) TNFRSF1AALDH1A1MAPTMEN1TP53
SCHEMBL4728388 0.83 TNFRSF1A (0.74) TNFRSF1AALDH1A1MAPTMEN1TP53
SCHEMBL5575692 0.82 TNFRSF1A (0.73) TNFRSF1ATUBB1ALDH1A1MAPTCYP3A4

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 1169/4885TUBB1 3080/4885ALDH1A1 3531/4885
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 183/4885TUBB1 483/4885ALDH1A1 186/4885
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 183/4885TUBB1 483/4885ALDH1A1 186/4885

“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.