SCHEMBL919452

SCHEMBL919452

Oc1cc(C=Cc2ccccc2)cc(O)c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.58
PTGS1 P23219 2/20 0.53
TTR P02766 1/20 0.53
ALOX5 P09917 1/20 0.53
PTGS2 P35354 1/20 0.53
TRPA1 O75762 2/20 0.52
PTPN1 P18031 2/20 0.51
TUBB1 Q9H4B7 1/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL919450 1.00 AHR (0.58) AHRPTGS1TTRALOX5PTGS2
SCHEMBL29057863 0.83 PTGS1 (0.64) PTGS1TTRALOX5PTGS2TRPA1
3,4,5-Trihydroxy-Transstilbene SCHEMBL41159 0.82 PTGS2 (0.63) AHRPTGS1TTRALOX5PTGS2
3,4,5-Trihydroxy-Transstilbene SCHEMBL41160 0.82 PTGS2 (0.63) AHRPTGS1TTRALOX5PTGS2
SCHEMBL919201 0.79 AKR1C3 (0.62) AHRPTGS1TTRALOX5PTGS2
SCHEMBL23752362 0.78 PTPN1 (0.71) AHRPTGS1TTRALOX5PTGS2
SCHEMBL5960441 0.78 PTGS1 (0.64) AHRPTGS1TTRALOX5PTGS2
SCHEMBL5960449 0.78 AHR (0.58) AHRPTGS1TTRALOX5PTGS2
SCHEMBL5960445 0.78 PTGS1 (0.64) AHRPTGS1TTRALOX5PTGS2
SCHEMBL5960453 0.78 AHR (0.58) AHRPTGS1TTRALOX5PTGS2

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-20030171429-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxyltilbenes and novel stilbene derivatives and analogues WELICHEMBIOTECH INC. (CA) 2003-09-11 US claimed
US-7868047-B2 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH INC. (CA) 2011-01-11 US disclosed
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES WELICHEM BIOTECH INC. (CA) 2010-04-15 US disclosed
US-20080255245-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxystilbenes and Novel Stilbene Derivatives and Analogues WELICHEM BIOTECH INC. (CA) 2008-10-16 US disclosed
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues WELICHEM BIOTECH INC. (CA) 2008-06-12 US disclosed
US-7321050-B2 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH INC. (CA) 2008-01-22 US disclosed
EP-1554236-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS Welichem Biotech Inc. (CA) 2005-07-20 EP disclosed
US-20050059733-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues WELICHEM BIOTECH, INC. 2005-03-17 US disclosed
WO-2004031117-A1 NOVEL BIOACTIVE DIPHENYL ETHENE COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS WELICHEM BIOTECH INC. (CA) 2004-04-15 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 (5 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-20050059733-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues NFKBIA, IKBKB, IKBKE AHR 1108/4885PTGS1 275/4885TTR 3947/4885
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues LTK, MMP8, CHUK AHR 1542/4885PTGS1 430/4885TTR 3052/4885
US-20080255245-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxystilbenes and Novel Stilbene Derivatives and Analogues NFKBIA, IKBKB, IKBKE AHR 1017/4885PTGS1 224/4885TTR 4152/4885
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES CHUK, MAP3K8, MAP3K1 AHR 1326/4885PTGS1 256/4885TTR 3786/4885
US-20030171429-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxyltilbenes and novel stilbene derivatives and analogues ROCK1, ROCK2, PTK2 AHR 2205/4885PTGS1 430/4885TTR 2671/4885

“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.