SCHEMBL918757

SCHEMBL918757

CCCc1c(OC)cc(CP(=O)(O)O)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.46
PGK2 P07205 2/20 0.46
ENPP2 Q13822 1/20 0.42
PTPRB P23467 2/20 0.39
HMGCR P04035 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
S1PR2 O95136 2/20 0.38
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
TLR7 Q9NYK1 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL919300 0.81 CCNT1 (0.39) HMGCRPDE3BPDE3APPARGPPARA
SCHEMBL5660361 0.79 PGK1 (0.52) PGK1PGK2PTPRBCYP3A4KMT2A
SCHEMBL8199992 0.79 PTGS2 (0.53) PGK1PGK2PTPRBCYP3A4MEN1
SCHEMBL918362 0.77 HMGCR (0.44) HMGCRPDE3BPDE3APPARGPPARA
SCHEMBL918847 0.76 PTGS2 (0.59) HMGCRPDE3BPDE3AALDH1A1CYP3A4
SCHEMBL6935944 0.76 CYP1A2 (0.41) HMGCRPDE3BPDE3APPARGPPARA
SCHEMBL4576123 0.75 GSTA1 (0.39) HMGCRPDE3BPDE3ARAB9AMEN1
SCHEMBL3815603 0.75 PGK1 (0.47) PGK1PGK2PTPRBALDH1A1THRA
SCHEMBL919348 0.74 PTGS2 (0.42) HMGCRPDE3BPDE3AALDH1A1CYP3A4
SCHEMBL2984364 0.74 CA2 (0.57) PPARGPPARAALDH1A1CYP3A4NPC1

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 PGK1 73/4885PGK2 83/4885ENPP2 94/4885
US-20080139666-A1 Anti-Inflammatory and Psoriasis Treatment and Protein Kinase Inhibition by Hydroxy Stilbenes and Novel Stilbene Derivatives and Analogues LTK, MMP8, CHUK PGK1 809/4885PGK2 980/4885ENPP2 505/4885
US-20100094041-A1 ANTI-INFLAMMATORY AND PSORIASIS TREATMENT AND PROTEIN KINASE INHIBITION BY HYDROXY STILBENES AND NOVEL STILBENE DERIVATIVES AND ANALOGUES CHUK, MAP3K8, MAP3K1 PGK1 258/4885PGK2 297/4885ENPP2 1386/4885

“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.