SCHEMBL10089079

SCHEMBL10089079

O=C(O)C1=CCN(CC2=Cc3ccc(OCc4ccc(OCC(F)(F)F)c(Cl)c4)cc3OC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
PPARA Q07869 8/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 4/20 0.37
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR4 O95977 1/20 0.36
S1PR3 Q99500 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
HRH3 Q9Y5N1 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL10089073 0.92 ALOX5 (0.38) ALOX5S1PR1S1PR5S1PR4MRGPRX4
SCHEMBL10088881 0.90 FFAR1 (0.37) ALOX5PPARAPPARGS1PR1S1PR5
SCHEMBL10089087 0.89 S1PR1 (0.35) ALOX5S1PR1S1PR5S1PR4HRH3
SCHEMBL10089034 0.88 ALOX5 (0.37) ALOX5PPARAPPARGPPARDS1PR1
SCHEMBL2324421 0.88 S1PR1 (0.45) ALOX5S1PR1S1PR5HRH3
SCHEMBL10088852 0.88 S1PR1 (0.40) S1PR1S1PR5S1PR4
SCHEMBL10088878 0.86 S1PR1 (0.38) ALOX5S1PR1S1PR5S1PR4MRGPRX4
SCHEMBL10088869 0.85 ALOX5 (0.37) ALOX5PPARAPPARGS1PR1S1PR5
SCHEMBL10088831 0.84 S1PR1 (0.45) ALOX5S1PR1S1PR5S1PR4MRGPRX4
SCHEMBL10088854 0.84 S1PR1 (0.37) ALOX5S1PR1S1PR5S1PR4MRGPRX4

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-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-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
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 ALOX5 257/4885PPARA 165/4885PPARG 265/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 ALOX5 377/4885PPARA 99/4885PPARG 131/4885

“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.