SCHEMBL694728

SCHEMBL694728

OCc1ccc(Oc2ccccc2)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
NR1H2 P55055 7/20 0.48
NR1H3 Q13133 6/20 0.48
EPHX2 P34913 1/20 0.46
PDK2 Q15119 1/20 0.43
MAPK14 Q16539 2/20 0.43
AR P10275 6/20 0.42
MGLL Q99685 1/20 0.41
BAX Q07812 1/20 0.41

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
SCHEMBL696462 0.89 LTA4H (0.49) LTA4HNR1H2NR1H3PDK2MAPK14
SCHEMBL876364 0.86 LTA4H (0.47) LTA4HNR1H2NR1H3MAPK14AR
SCHEMBL695601 0.85 EPHX2 (0.42) LTA4HNR1H2NR1H3EPHX2PDK2
SCHEMBL15096325 0.84 AR (0.60) NR1H2NR1H3AR
SCHEMBL877311 0.82 PPARG (0.46) AR
SCHEMBL695145 0.80 AR (0.52) LTA4HEPHX2PDK2AR
SCHEMBL8633068 0.79 AR (0.49) LTA4HNR1H2PDK2ARMGLL
SCHEMBL507575 0.79 LTA4H (0.53) LTA4HNR1H2BAX
SCHEMBL27531729 0.78 LTA4H (0.57) LTA4HNR1H2NR1H3EPHX2AR
SCHEMBL2093112 0.77 LTA4H (0.55) LTA4HNR1H2BAX

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 13 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-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
EP-2421835-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS Glaxo Group Limited (GB) 2012-02-29 EP 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
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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 (4 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 LTA4H 179/4885NR1H2 47/4885NR1H3 57/4885
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E LTA4H 484/4885NR1H2 1528/4885NR1H3 2115/4885
US-20120178735-A1 2H-CHROMENE COMPOUND AND DERIVATIVE THEREOF S1PR1, S1PR2, S1PR4 LTA4H 244/4885NR1H2 12/4885NR1H3 14/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 LTA4H 16/4885NR1H2 239/4885NR1H3 259/4885

“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.