SCHEMBL919201

SCHEMBL919201

Oc1cc(C=Cc2ccccc2)ccc1Br

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
AKR1C2 P52895 1/20 0.62
TUBB1 Q9H4B7 1/20 0.56
PTPN1 P18031 2/20 0.53
HNF4A P41235 1/20 0.53
LCK P06239 3/20 0.50
AHR P35869 1/20 0.50
NQO2 P16083 2/20 0.48
TRPA1 O75762 2/20 0.48
RELA Q04206 1/20 0.48
NPC1 O15118 1/20 0.47
MTOR P42345 1/20 0.47
PTGS1 P23219 2/20 0.46
TTR P02766 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGS2 P35354 1/20 0.46

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
(E)-3,4-Stilbendiol SCHEMBL1821396 0.81 LCK (0.77) TUBB1PTPN1HNF4ALCKNQO2
(E)-3,4-Stilbendiol SCHEMBL1821395 0.81 LCK (0.77) TUBB1PTPN1HNF4ALCKNQO2
SCHEMBL919450 0.79 AHR (0.58) TUBB1PTPN1HNF4ALCKAHR
SCHEMBL919452 0.79 AHR (0.58) TUBB1PTPN1HNF4ALCKAHR
SCHEMBL20472069 0.77 AKR1C3 (1.00) AKR1C3AKR1C2PTPN1PTGS1TTR
SCHEMBL27620182 0.76 ALOX5 (0.55) TUBB1TRPA1RELAPTGS1TTR
SCHEMBL27388811 0.76 TUBB1 (0.56) TUBB1PTPN1HNF4ALCKAHR
SCHEMBL23752362 0.75 PTPN1 (0.71) PTPN1LCKAHRTRPA1PTGS1
SCHEMBL28111394 0.74 KDM1A (0.58) PTPN1HNF4AAHRTRPA1NPC1
SCHEMBL28111395 0.74 KDM1A (0.58) PTPN1HNF4AAHRTRPA1NPC1

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-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 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
EP-1248774-B1 POLYHYDROXYSTILBENES AND STILBENE OXIDES AS ANTIPSORIATIC AGENTS AND PROTEIN KINASE INHIBITORS WELICHEM BIOTECH INC (CA) 2009-10-07 EP 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
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
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 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 AKR1C3 1741/4885AKR1C2 1617/4885TUBB1 1060/4885
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues LTK, MMP8, CHUK AKR1C3 3196/4885AKR1C2 2564/4885TUBB1 1237/4885
US-20080255245-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxystilbenes and Novel Stilbene Derivatives and Analogues NFKBIA, IKBKB, IKBKE AKR1C3 1584/4885AKR1C2 1505/4885TUBB1 1167/4885
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES CHUK, MAP3K8, MAP3K1 AKR1C3 2512/4885AKR1C2 2238/4885TUBB1 1240/4885
US-20030171429-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxyltilbenes and novel stilbene derivatives and analogues ROCK1, ROCK2, PTK2 AKR1C3 2027/4885AKR1C2 1598/4885TUBB1 1768/4885

“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.