SCHEMBL4576313

SCHEMBL4576313

COc1cc(C=Cc2ccc(F)cc2)cc(OC)c1C(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.65
NQO2 P16083 2/20 0.57
PTGS1 P23219 2/20 0.49
TUBB1 Q9H4B7 4/20 0.47
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47
TUBB3 Q13509 3/20 0.47
TUBB2A Q13885 3/20 0.47
TUBB8 Q3ZCM7 3/20 0.47
TUBA3E Q6PEY2 3/20 0.47
TUBA1A Q71U36 3/20 0.47
TUBA1C Q9BQE3 3/20 0.47
TUBB6 Q9BUF5 3/20 0.47
TUBB2B Q9BVA1 3/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 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
SCHEMBL4576311 1.00 NFE2L2 (0.65) NFE2L2NQO2PTGS1TUBB1TUBB4A
SCHEMBL30842569 0.92 NFE2L2 (0.59) NFE2L2NQO2PTGS1TUBB1TUBB4A
SCHEMBL4575923 0.86 NFE2L2 (0.46) NFE2L2NQO2PTGS1TUBB1TUBB4A
SCHEMBL4575925 0.86 NFE2L2 (0.46) NFE2L2NQO2PTGS1TUBB1TUBB4A
SCHEMBL4576391 0.85 TUBB1 (0.67) NFE2L2NQO2PTGS1TUBB1TUBB4A
SCHEMBL4576395 0.85 TUBB1 (0.67) NFE2L2NQO2PTGS1TUBB1TUBB4A
SCHEMBL4576577 0.83 NFE2L2 (0.53) NFE2L2PTGS1TUBB1TUBB4ATUBB
SCHEMBL4576575 0.83 NFE2L2 (0.53) NFE2L2PTGS1TUBB1TUBB4ATUBB
SCHEMBL919000 0.83 TUBB1 (0.66) NFE2L2NQO2TUBB1TUBB4ATUBB
SCHEMBL918999 0.83 TUBB1 (0.66) NFE2L2NQO2TUBB1TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1688535-B Novel bioactive diphenyl ethene compounds and their therapeutic applications BEIJING WENFENG TIANJI MEDICINE TECHNOLOGY CO LTD 2011-11-09 CN claimed
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 claimed
CN-1688535-B Novel bioactive diphenyl ethene compounds and their therapeutic applications BEIJING WENFENG TIANJI MEDICINE TECHNOLOGY CO LTD 2011-11-09 CN 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-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
CN-1688535-A Novel bioactive diphenyl ethene compounds and their therapeutic applications WELICHEM BIOTECH INC (CA) 2005-10-26 CN 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 (1 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-20080255245-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxystilbenes and Novel Stilbene Derivatives and Analogues NFKBIA, IKBKB, IKBKE NFE2L2 344/4885NQO2 2595/4885PTGS1 224/4885

“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.