SCHEMBL5575979

SCHEMBL5575979

COc1cc(OC)c(-c2cc3ccccc3s2)cc1/C=C/C(=O)c1cc(OC)c(O)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 13/20 1.00
ERN1 O75460 1/20 0.51
SNCA P37840 2/20 0.49
ABCB1 P08183 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.47
NR1H4 Q96RI1 1/20 0.44
DPP4 P27487 1/20 0.43

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
SCHEMBL5574923 1.00 TNFRSF1A (1.00) TNFRSF1AERN1SNCAABCB1ABCG2
SCHEMBL5575672 0.99 TNFRSF1A (0.98) TNFRSF1AERN1SNCAABCB1ABCG2
SCHEMBL5575666 0.99 TNFRSF1A (0.98) TNFRSF1AERN1SNCAABCB1ABCG2
SCHEMBL5575670 0.99 TNFRSF1A (0.98) TNFRSF1AERN1SNCAABCB1ABCG2
SCHEMBL5574886 0.92 TNFRSF1A (1.00) TNFRSF1AABCB1
SCHEMBL5574888 0.92 TNFRSF1A (1.00) TNFRSF1AABCB1
SCHEMBL5960658 0.91 TNFRSF1A (0.83) TNFRSF1AABCG2NR1H4
SCHEMBL5960657 0.91 TNFRSF1A (0.83) TNFRSF1AABCG2NR1H4
SCHEMBL5571714 0.90 TNFRSF1A (0.82) TNFRSF1AERN1SNCAABCG2
SCHEMBL5571710 0.90 TNFRSF1A (0.82) TNFRSF1AERN1SNCAABCG2

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 12 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-7247714-B2 Protection against oxidative stress and inflammation by a cytoprotective response element ATHEROGENICS, INC. (US) 2007-07-24 US disclosed
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-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 (2 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-20030236298-A1 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 TNFRSF1A 183/4885ERN1 3314/4885SNCA 1327/4885
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 183/4885ERN1 3314/4885SNCA 1327/4885

“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.