SCHEMBL5599436

SCHEMBL5599436

FC(F)(F)c1cc([Mg]I)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
IDO1 P14902 2/20 0.37
ADRB1 P08588 1/20 0.33
MAPT P10636 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
XPO1 O14980 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HIF1A Q16665 1/20 0.30
TXNRD1 Q16881 1/20 0.30
TXNRD3 Q86VQ6 1/20 0.30
TXNRD2 Q9NNW7 1/20 0.30

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
SCHEMBL20184827 0.86 RXRA (0.33) CES2RXRARXRBRXRG
SCHEMBL20184786 0.77 TSHR (0.48) CES2IDO1MAPTTSHRALDH1A1
SCHEMBL440959 0.76 CES2 (0.58) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL5459115 0.76 CES2 (0.42) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL432591 0.74 CES2 (0.41) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL14763886 0.74 GABRA1 (0.46) MAPTRXRARXRBRXRGTSHR
SCHEMBL81205 0.69 CES2 (0.46) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL9482063 0.67 RXRA (0.54) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL13567133 0.67 CES2 (0.50) CES2IDO1ADRB1MAPTRAPGEF4
SCHEMBL13866628 0.65 RXRA (0.52) CES2IDO1ADRB1MAPTRAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP 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 (1 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-20140235867-A1 METHOD FOR PRODUCING ALPHA-HYDROXY KETONE COMPOUND HSD17B7, BCKDK, HSD11B1 CES2 690/4885IDO1 3687/4885ADRB1 524/4885

“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.