SCHEMBL5571769

SCHEMBL5571769

COc1cc(C(=O)C=Cc2cc(OC)c(OC)c(-c3cccs3)c2)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 9/20 0.81
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
TP53 P04637 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
HPGD P15428 1/20 0.65
CASP7 P55210 1/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B10 Q99714 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
ABCG2 Q9UNQ0 2/20 0.61
ABCB1 P08183 2/20 0.60
CYP1A1 P04798 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C8 P10632 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP1B1 Q16678 1/20 0.58
TUBB4A P04350 1/20 0.57

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
SCHEMBL5571761 1.00 TNFRSF1A (0.81) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL5960653 0.92 TNFRSF1A (0.76) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL5960655 0.92 TNFRSF1A (0.76) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL4728388 0.90 TNFRSF1A (0.74) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL4728384 0.90 TNFRSF1A (0.74) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL6112015 0.87 TNFRSF1A (0.72) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL5575698 0.86 TNFRSF1A (0.71) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL5576005 0.86 TNFRSF1A (0.71) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL5575679 0.85 TNFRSF1A (1.00) TNFRSF1AKDM4EMEN1ALDH1A1TP53
SCHEMBL5575673 0.85 TNFRSF1A (1.00) TNFRSF1AKDM4EMEN1ALDH1A1TP53

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 11 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
EP-1330448-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS Atherogenics, Inc. (US) 2003-07-30 EP disclosed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 WO 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 1169/4885KDM4E 4536/4885MEN1 4726/4885
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 183/4885KDM4E 4395/4885MEN1 2348/4885
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 183/4885KDM4E 4395/4885MEN1 2348/4885

“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.