SCHEMBL5575692

SCHEMBL5575692

COc1cc(C=CC(=O)c2ccc(OC)c(OC)c2OC)cc(-c2cc3ccccc3s2)c1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 8/20 0.73
TUBB1 Q9H4B7 5/20 0.54
MCL1 Q07820 3/20 0.53
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
TUBB4A P04350 2/20 0.48
TUBB P07437 2/20 0.48
TUBA3C P0DPH7 2/20 0.48
TUBA1B P68363 2/20 0.48
TUBA4A P68366 2/20 0.48
TUBB4B P68371 2/20 0.48
TUBB3 Q13509 2/20 0.48
TUBB2A Q13885 2/20 0.48
TUBB8 Q3ZCM7 2/20 0.48
TUBA3E Q6PEY2 2/20 0.48
TUBA1A Q71U36 2/20 0.48

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
SCHEMBL5575927 1.00 TNFRSF1A (0.73) TNFRSF1ATUBB1MCL1ALDH1A1LMNA
SCHEMBL5571725 0.87 TNFRSF1A (0.73) TNFRSF1ATUBB1TUBB4ATUBBTUBA3C
SCHEMBL5571727 0.87 TNFRSF1A (0.73) TNFRSF1ATUBB1TUBB4ATUBBTUBA3C
SCHEMBL5574930 0.84 TNFRSF1A (1.00) TNFRSF1ATUBB1CYP1A1CYP1A2CYP1B1
SCHEMBL5574927 0.84 TNFRSF1A (1.00) TNFRSF1ATUBB1CYP1A1CYP1A2CYP1B1
SCHEMBL5571695 0.84 TNFRSF1A (0.69) TNFRSF1ATUBB1ALDH1A1LMNAMAPT
SCHEMBL5575698 0.82 TNFRSF1A (0.71) TNFRSF1ATUBB1MCL1ALDH1A1LMNA
SCHEMBL5576005 0.82 TNFRSF1A (0.71) TNFRSF1ATUBB1MCL1ALDH1A1LMNA
SCHEMBL5575691 0.80 TNFRSF1A (0.72) TNFRSF1ACYP1A1CYP1A2CYP1B1ABCB1
SCHEMBL5574920 0.78 TNFRSF1A (0.69) TNFRSF1AALDH1A1LMNAMAPTABCG2

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
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 claimed
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 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
WO-2003033662-A2 PROTECTION AGAINST OXIDATIVE STRESS AND INFLAMMATION BY A CYTOPROTECTIVE RESPONSE ELEMENT ATHEROGENICS, INC. (US) 2003-04-24 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 1169/4885TUBB1 3080/4885MCL1 834/4885
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 483/4885MCL1 386/4885
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 483/4885MCL1 386/4885

“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.