SCHEMBL5576273

SCHEMBL5576273

COc1ccc(OC)c(C(=O)C=Cc2cc(-c3cccs3)ccc2OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 16/20 1.00
LMNA P02545 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.56

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
SCHEMBL5576269 1.00 TNFRSF1A (1.00) TNFRSF1ALMNAGAAMAPTATM
SCHEMBL5575669 0.88 TNFRSF1A (1.00) TNFRSF1AABCG2
SCHEMBL5575663 0.88 TNFRSF1A (1.00) TNFRSF1AABCG2
SCHEMBL5575643 0.87 TNFRSF1A (0.76) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL5575647 0.87 TNFRSF1A (0.76) TNFRSF1APDE4APDE4BPDE4CPDE4D
SCHEMBL5575987 0.86 TNFRSF1A (1.00) TNFRSF1AABCG2
SCHEMBL5575991 0.86 TNFRSF1A (1.00) TNFRSF1AABCG2
SCHEMBL5576265 0.86 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5576270 0.86 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL7264904 0.84 TNFRSF1A (0.77) 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 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 1169/4885LMNA 1978/4885GAA 4345/4885
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 183/4885LMNA 2238/4885GAA 684/4885
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 183/4885LMNA 2238/4885GAA 684/4885

“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.