SCHEMBL5574895

SCHEMBL5574895

COc1ccc(-c2cccs2)cc1C=CC(=O)c1c(OC)cccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 19/20 1.00
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL5574892 1.00 TNFRSF1A (1.00) TNFRSF1AMEN1ALDH1A1TP53CYP3A4
SCHEMBL5575987 0.91 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5575991 0.91 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL6111525 0.90 TNFRSF1A (0.81) TNFRSF1A
SCHEMBL7264904 0.87 TNFRSF1A (0.77) TNFRSF1A
SCHEMBL5574946 0.85 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5574947 0.85 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL6040662 0.84 TNFRSF1A (0.87) TNFRSF1A
SCHEMBL5571674 0.84 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5571669 0.84 TNFRSF1A (1.00) 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 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 1169/4885MEN1 4726/4885ALDH1A1 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 183/4885MEN1 2348/4885ALDH1A1 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 183/4885MEN1 2348/4885ALDH1A1 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.