SCHEMBL10089046

SCHEMBL10089046

O=C(O)C1=CCCN(CC2=Cc3ccc(OCc4ccc(OCC(F)(F)F)c(C(F)(F)F)c4)cc3OC2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
CD274 Q9NZQ7 1/20 0.37
S1PR1 P21453 9/20 0.37
S1PR4 O95977 2/20 0.35
S1PR5 Q9H228 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
MRGPRX4 Q96LA9 3/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
FFAR1 O14842 1/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
SLC6A1 P30531 1/20 0.33
KMT2A Q03164 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
SCHEMBL10088862 0.93 CD274 (0.39) ALOX5CD274S1PR1S1PR4S1PR5
SCHEMBL10089034 0.92 ALOX5 (0.37) ALOX5CD274S1PR1S1PR4S1PR5
SCHEMBL10088870 0.91 S1PR1 (0.37) ALOX5CD274S1PR1S1PR4S1PR5
SCHEMBL2321720 0.91 S1PR1 (0.45) ALOX5CD274S1PR1S1PR4S1PR5
SCHEMBL10088815 0.89 S1PR1 (0.39) ALOX5CD274S1PR1S1PR4S1PR5
SCHEMBL10089070 0.88 CD274 (0.37) ALOX5CD274S1PR1S1PR4S1PR5
SCHEMBL10089073 0.88 ALOX5 (0.38) ALOX5S1PR1S1PR4S1PR5RXRA
SCHEMBL10088877 0.87 ALOX5 (0.37) ALOX5CD274FFAR1MEN1CYP3A4
SCHEMBL10088858 0.86 CD274 (0.42) ALOX5CD274S1PR1S1PR5MRGPRX4
SCHEMBL2324838 0.86 S1PR1 (0.46) ALOX5S1PR1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 257/4885CD274 223/4885S1PR1 1/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 ALOX5 377/4885CD274 149/4885S1PR1 1/4885

“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.