SCHEMBL919348

SCHEMBL919348

CCCc1c(OC)cc(CBr)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
HMGCR P04035 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
CA2 P00918 1/20 0.38
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
AOC3 Q16853 1/20 0.36
POLB P06746 1/20 0.35
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL918847 0.85 PTGS2 (0.59) PTGS2HMGCRALDH1A1CYP3A4PDE3B
SCHEMBL918362 0.82 HMGCR (0.44) PTGS2HMGCRALDH1A1CYP3A4PDE3B
Hydrochloric Acid SCHEMBL25186690 0.79 HTR2A (0.61) ALDH1A1CYP3A4HTR2AHTR2CHTR2B
SCHEMBL6312974 0.79 CALM1 (0.57) PTGS2ALDH1A1CYP3A4HTR2AHTR2C
SCHEMBL6931161 0.79 PDE3B (0.41) PTGS2HMGCRALDH1A1CYP3A4PDE3B
SCHEMBL12844405 0.78 ACHE (0.50) PTGS2HMGCRALDH1A1CYP3A4PDE3B
SCHEMBL8009626 0.78 CYP1A2 (0.44) HMGCRALDH1A1CYP3A4PDE3BPDE3A
SCHEMBL6935944 0.77 CYP1A2 (0.41) HMGCRALDH1A1CYP3A4PDE3BPDE3A
SCHEMBL6448298 0.77 HMGCR (0.41) PTGS2HMGCRALDH1A1CYP3A4PDE3B
SCHEMBL7114104 0.77 ALOX5 (0.53) PTGS2HMGCRCYP3A4PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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 PTGS2 293/4885HMGCR 2594/4885ALDH1A1 3063/4885
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues LTK, MMP8, CHUK PTGS2 512/4885HMGCR 1809/4885ALDH1A1 4482/4885
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES CHUK, MAP3K8, MAP3K1 PTGS2 352/4885HMGCR 1870/4885ALDH1A1 4139/4885

“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.