SCHEMBL5217692

SCHEMBL5217692

COc1cc2c(Oc3ccc(OCC4CCCCC4)cc3)c(C(=O)O)sc2cc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.46
PARP15 Q460N3 3/20 0.46
ELANE P08246 1/20 0.46
DYRK1A Q13627 1/20 0.39
FFAR1 O14842 1/20 0.38
PIK3CD O00329 1/20 0.38
ESR1 P03372 8/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
PDGFRA P16234 2/20 0.36
KIT P10721 1/20 0.36

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
SCHEMBL5215684 0.88 PIK3CD (0.40) ELANEDYRK1APIK3CDESR1
SCHEMBL5216211 0.85 SMN1; SMN2 (0.39) ELANEDYRK1APIK3CDESR1
SCHEMBL6843911 0.85 ESR1 (0.42) DYRK1AFFAR1ESR1
SCHEMBL5215855 0.85 ESR1 (0.42) DYRK1AFFAR1ESR1
SCHEMBL5214032 0.85 SMN1; SMN2 (0.39) ELANEDYRK1APIK3CDESR1
SCHEMBL5210876 0.84 DYRK1A (0.38) DYRK1APIK3CDESR1
SCHEMBL4771835 0.84 ESR1 (0.42) DYRK1AFFAR1ESR1
SCHEMBL5212869 0.82 ESR1 (0.42) PARP10DYRK1APIK3CDESR1ACACB
SCHEMBL5217164 0.82 PTGDR2 (0.41) ELANEDYRK1APIK3CDESR1
SCHEMBL6021255 0.82 STING1 (0.46) PARP10PARP15ELANEDYRK1A

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 PARP10 3074/4885PARP15 2170/4885ELANE 4253/4885

“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.