SCHEMBL9110445

SCHEMBL9110445

CNc1ncccc1-c1noc(C(=Cc2ccc(C)c(C)c2)c2ccccc2OC)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
ALDH1A1 P00352 4/20 0.36
TP53 P04637 4/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 1/20 0.35
TSHR P16473 3/20 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
SCHEMBL9110438 1.00 HCRTR1 (0.39) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9110431 1.00 HCRTR1 (0.39) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9911737 0.91 CASP3 (0.41) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9106089 0.89 PDE4A (0.39) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9107931 0.89 CASP3 (0.38) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9106093 0.89 PDE4A (0.39) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9106083 0.89 PDE4A (0.39) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9107922 0.89 CASP3 (0.38) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9107933 0.89 CASP3 (0.38) HCRTR1HCRTR2CASP3SENP7SENP6
SCHEMBL9110019 0.86 PDE4A (0.40) CASP3SENP7SENP6PDE4APDE4B

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 HCRTR1 655/4885HCRTR2 391/4885CASP3 3520/4885

“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.