SCHEMBL10088686

SCHEMBL10088686

CCn1ccc2cc(COc3ccc4c(c3)OCC(CN3CC(C(=O)O)C3)=C4)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 16/20 0.44
S1PR5 Q9H228 15/20 0.43
HTR2A P28223 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PDGFRA P16234 3/20 0.42
ROCK1 Q13464 1/20 0.42
PRKX P51817 2/20 0.41
ACVR1 Q04771 1/20 0.41
S1PR3 Q99500 2/20 0.41
S1PR4 O95977 1/20 0.41
PRKD3 O94806 1/20 0.40
CDK7 P50613 1/20 0.40
JAK3 P52333 1/20 0.40
TNK2 Q07912 1/20 0.40
IKBKE Q14164 1/20 0.39
PIM1 P11309 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL10088698 0.83 S1PR5 (0.52) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL10088685 0.83 S1PR5 (0.55) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL13350133 0.81 PPARD (0.35) NR1H4
SCHEMBL10088680 0.81 S1PR5 (0.56) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL10088950 0.81 S1PR5 (0.55) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL10088722 0.80 S1PR5 (0.52) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL23481271 0.80 S1PR1 (0.43) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL12441169 0.80 S1PR5 (0.49) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL29770870 0.79 S1PR1 (0.44) S1PR1S1PR5HTR2AKCNH2SIGMAR1
SCHEMBL23467026 0.79 S1PR1 (0.44) S1PR1S1PR5HTR2AKCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2354134-B1 2H-CHROMENE DERIVATIVES AS STIMULATORS OF SPHINGOSINE 1-PHOSPHATE RECEPTOR ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2012-07-12 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-8193378-B2 2H-chromene compound and derivative thereof ASTELLAS PHARMA INC. (JP) 2012-06-05 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
US-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF ASTELLAS PHARMA INC. (JP) 2011-09-22 US disclosed
EP-2354134-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF Astellas Pharma Inc. (JP) 2011-08-10 EP disclosed
WO-2010064707-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF アステラス製薬株式会社 (JP) 2010-06-10 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 (2 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-20110230463-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, CCR1 S1PR1 1/4885S1PR5 4/4885HTR2A 199/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 S1PR1 1/4885S1PR5 7/4885HTR2A 182/4885

“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.