SCHEMBL9108215

SCHEMBL9108215

CNc1ncccc1-c1noc(C(=Cc2ccc(C)c(C)c2)c2cccc(OC)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GRM5 P41594 2/20 0.36
PKM P14618 1/20 0.36
CYP2C9 P11712 2/20 0.35
KCNH2 Q12809 1/20 0.35
BRAF P15056 1/20 0.34

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
SCHEMBL9108209 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9108202 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9110031 0.91 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9110027 0.91 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9110019 0.91 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9107108 0.90 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9107097 0.90 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9107104 0.90 PDE4A (0.39) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9108903 0.89 CASP3 (0.40) PDE4APDE4BPDE4CPDE4DCASP3
SCHEMBL9108898 0.89 CASP3 (0.40) PDE4APDE4BPDE4CPDE4DCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646028-B1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-12 EP claimed
US-8288555-B2 Alkene derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2012-10-16 US claimed
US-20120142740-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 US claimed
EP-2646028-B1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN INC (US) 2014-11-12 EP disclosed
US-8288555-B2 Alkene derivatives as sphingosine 1-phosphate (S1P) receptor modulators ALLERGAN, INC. (US) 2012-10-16 US disclosed
US-20120142740-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS ALLERGAN, INC. (US) 2012-06-07 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-20120142740-A1 NOVEL ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE (S1P) RECEPTOR MODULATORS S1PR1, S1PR2, S1PR3 PDE4A 447/4885PDE4B 539/4885PDE4C 939/4885

“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.