SCHEMBL3808056

SCHEMBL3808056

COc1cc(/C=C(\C)c2ccccc2)cc(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 8/20 0.77
▸ PTGS1 P23219 4/20 0.65
▸ PTGS2 P35354 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TUBB1 Q9H4B7 1/20 0.47

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
SCHEMBL3808057 1.00 NQO2 (0.77) NQO2PTGS1PTGS2ALDH1A1MEN1
SCHEMBL5181745 0.84 NQO2 (0.54) NQO2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL1650706 0.81 NQO2 (0.51) NQO2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL1650710 0.81 NQO2 (0.51) NQO2PTGS1ALDH1A1MEN1KMT2A
SCHEMBL5453588 0.80 NQO2 (0.69) NQO2PTGS1PTGS2ALDH1A1MEN1
SCHEMBL5453595 0.80 NQO2 (0.69) NQO2PTGS1PTGS2ALDH1A1MEN1
SCHEMBL5453593 0.80 NQO2 (0.69) NQO2PTGS1PTGS2ALDH1A1MEN1
SCHEMBL3811776 0.79 PTGS1 (0.75) NQO2PTGS1PTGS2
SCHEMBL3811778 0.79 PTGS1 (0.75) NQO2PTGS1PTGS2
SCHEMBL1651929 0.79 NQO2 (0.50) NQO2PTGS1ALDH1A1MEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487009-B2 1,2-diphenylethene derivatives for treatment of immune diseases GLAXO GROUP LIMITED (GB) 2013-07-16 — — US claimed
US-8487009-B2 1,2-diphenylethene derivatives for treatment of immune diseases GLAXO GROUP LIMITED (GB) 2013-07-16 — — US disclosed
EP-1368306-B1 NOVEL 1,2-DIPHENYLETHENE DERIVATIVES FOR TREATMENT OF IMMUNE DISEASES WELICHEM BIOTECH INC (CA) 2013-01-16 — — EP disclosed
US-20090149548-A1 NOVEL 1,2-DIPHENYLETHENE DERIVATIVES FOR TREATMENT OF IMMUNE DISEASES WELICHEM BIOTECH, INC. (CA) 2009-06-11 — — US disclosed
US-20040102517-A1 Modulators of T- cells, neutrophils, macrophages and their associated cytokines GLAXO GROUP LIMITED (GB) 2004-05-27 — — US disclosed
EP-1368306-A1 NOVEL 1,2-DIPHENYLETHENE DERIVATIVES FOR TREATMENT OF IMMUNE DISEASES Welichem Biotech Inc. (CA) 2003-12-10 — — EP disclosed
WO-2002057219-A1 NOVEL 1,2-DIPHENYLETHENE DERIVATIVES FOR TREATMENT OF IMMUNE DISEASES WELICHEM BIOTECH INC. (CA) 2002-07-25 — — 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-20090149548-A1 NOVEL 1,2-DIPHENYLETHENE DERIVATIVES FOR TREATMENT OF IMMUNE DISEASES IL2, IFNG, NFATC1 NQO2 2224/4885PTGS1 90/4885PTGS2 122/4885
US-20040102517-A1 Modulators of T- cells, neutrophils, macrophages and their associated cytokines IL2, NFATC1, IFNG NQO2 2218/4885PTGS1 188/4885PTGS2 263/4885

“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.

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