SCHEMBL10089073

SCHEMBL10089073

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
S1PR1 P21453 9/20 0.37
MRGPRX4 Q96LA9 5/20 0.35
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
PTGDR2 Q9Y5Y4 2/20 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
SCHEMBL10088869 0.93 ALOX5 (0.37) ALOX5S1PR1MRGPRX4S1PR4S1PR5
SCHEMBL10089079 0.92 ALOX5 (0.37) ALOX5S1PR1MRGPRX4S1PR4S1PR5
SCHEMBL10088854 0.92 S1PR1 (0.37) ALOX5S1PR1MRGPRX4S1PR4S1PR5
SCHEMBL10088878 0.91 S1PR1 (0.38) ALOX5S1PR1MRGPRX4S1PR4S1PR5
SCHEMBL10088831 0.91 S1PR1 (0.45) ALOX5S1PR1MRGPRX4S1PR4S1PR5
SCHEMBL10089046 0.88 ALOX5 (0.38) ALOX5S1PR1MRGPRX4S1PR4S1PR5
SCHEMBL10088861 0.86 S1PR1 (0.46) ALOX5S1PR1S1PR4S1PR5
SCHEMBL2327510 0.84 S1PR1 (0.43) ALOX5S1PR1S1PR4S1PR5
Hydrochloric Acid SCHEMBL17530055 0.84 S1PR1 (0.43) ALOX5S1PR1S1PR4S1PR5
SCHEMBL17510080 0.83 S1PR1 (0.40) 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 257/4885S1PR1 1/4885MRGPRX4 319/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 ALOX5 377/4885S1PR1 1/4885MRGPRX4 205/4885

“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.