SCHEMBL5215147

SCHEMBL5215147

COc1cc2c(Oc3cccc(C4CCCCC4)c3)c(C(=O)O)sc2cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.40
HTR2C P28335 2/20 0.37
MYC P01106 1/20 0.37
DYRK1A Q13627 1/20 0.36
EDNRA P25101 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
PDE2A O00408 1/20 0.34
DRD2 P14416 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
CES2 O00748 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PIK3CD O00329 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
ESR1 P03372 1/20 0.33

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
SCHEMBL5214032 0.89 SMN1; SMN2 (0.39) MYCDYRK1AALDH1A1HTTHIF1A
SCHEMBL5216211 0.89 SMN1; SMN2 (0.39) MYCDYRK1AALDH1A1HTTHIF1A
SCHEMBL5210876 0.88 DYRK1A (0.38) MYCDYRK1AALDH1A1PTGDR2CES2
SCHEMBL5217164 0.88 PTGDR2 (0.41) DYRK1APTGDR2CES2PIK3CDPROKR1
SCHEMBL5215654 0.87 PDE4B (0.39) KMODYRK1AHTTHIF1APTGDR2
SCHEMBL5212384 0.87 PDE4B (0.41) DYRK1APTGDR2
SCHEMBL5214611 0.86 PDE4B (0.39) EDNRAHIF1AESR1KDM4EPOLB
SCHEMBL5212851 0.84 PDE4A (0.37) KMODYRK1AALDH1A1PTGDR2PIK3CD
SCHEMBL5215697 0.84 PDE4B (0.37) KMODYRK1AHTTHIF1APTGDR2
SCHEMBL4773675 0.84 DYRK1A (0.37) DYRK1AALDH1A1PTGDR2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636213-B1 3-ARYLOXY AND 3-HETEROARYLOXY SUBSTITUTED BENZO(B) THIOPHENES AS THERAPEUTIC AGENTS WITH PI3K ACTIVITY WARNER LAMBERT CO (US) 2007-06-13 EP disclosed
US-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents BRUENDL MICHELLE M (US) 2004-12-23 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 (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-20040259926-A1 3-Aryloxy and 3-heteroaryloxy substituted benzo[b]thiophenes as therapeutic agents MALT1, CYP1B1, CYP4B1 KMO 1219/4885HTR2C 837/4885MYC 2339/4885

“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.