SCHEMBL918372

SCHEMBL918372

CCCc1c(OC)cc(C=Cc2c(F)cccc2F)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
NFE2L2 Q16236 3/20 0.44
TUBB1 Q9H4B7 7/20 0.43
KRAS P01116 2/20 0.43
PTGS1 P23219 2/20 0.42
KCNH2 Q12809 4/20 0.41
MAT2A P31153 1/20 0.41
ALOX5 P09917 2/20 0.41
PTGS2 P35354 1/20 0.41
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40

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
SCHEMBL6449536 1.00 CYP1A1 (0.44) CYP1A1CYP1A2CYP1B1NFE2L2TUBB1
SCHEMBL6450850 0.87 TUBB1 (0.41) CYP1A1CYP1A2CYP1B1NFE2L2TUBB1
SCHEMBL919181 0.87 TUBB1 (0.41) CYP1A1CYP1A2CYP1B1NFE2L2TUBB1
SCHEMBL917823 0.84 NFE2L2 (0.56) CYP1A1CYP1A2CYP1B1NFE2L2TUBB1
SCHEMBL6448424 0.84 TUBB1 (0.41) CYP1A1CYP1A2CYP1B1NFE2L2TUBB1
SCHEMBL917832 0.84 TUBB1 (0.41) CYP1A1CYP1A2CYP1B1NFE2L2TUBB1
SCHEMBL919199 0.83 NFE2L2 (0.64) NFE2L2TUBB1PTGS1ALOX5PTGS2
SCHEMBL6448352 0.81 CYP1A1 (0.45) CYP1A1CYP1A2CYP1B1NFE2L2TUBB1
SCHEMBL918373 0.81 NFE2L2 (0.61) NFE2L2TUBB1PTGS1TUBB4ATUBB
SCHEMBL6453082 0.81 NFE2L2 (0.61) NFE2L2TUBB1PTGS1TUBB4ATUBB

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-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
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
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 (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-20050059733-A1 Anti-inflammatory and psoriasis treatment and protein kinase inhibition by hydroxy stilbenes and novel stilbene derivatives and analogues NFKBIA, IKBKB, IKBKE CYP1A1 3210/4885CYP1A2 3444/4885CYP1B1 2963/4885
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues LTK, MMP8, CHUK CYP1A1 3243/4885CYP1A2 3272/4885CYP1B1 2183/4885
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES CHUK, MAP3K8, MAP3K1 CYP1A1 2632/4885CYP1A2 2616/4885CYP1B1 1910/4885

“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.