SCHEMBL6161958

SCHEMBL6161958

FC(F)(F)Oc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
KCNH2 Q12809 2/20 0.45
EPHX2 P34913 3/20 0.44
LTA4H P09960 1/20 0.44
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
CHRM5 P08912 2/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
FAAH O00519 1/20 0.41
NR3C1 P04150 1/20 0.40
CETP P11597 1/20 0.40
DAO P14920 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL1008825 0.94 ALDH1A1 (0.51) ALDH1A1TSHREPHX2CHRM5SLC6A4
SCHEMBL3602312 0.88 ALDH1A1 (0.47) ALDH1A1TSHRCHRM5SLC6A4
SCHEMBL6563991 0.86 SLC6A4 (0.47) ALDH1A1TSHREPHX2LTA4HCHRM5
SCHEMBL31374891 0.86 CHRM5 (0.48) ALDH1A1EPHX2LTA4HCHRM5CETP
SCHEMBL9501816 0.83 ALDH1A1 (0.34) ALDH1A1TSHRKCNH2EPHX2LTA4H
SCHEMBL9503639 0.83 CETP (0.39) ALDH1A1TSHRCETP
SCHEMBL1338731 0.82 ST14 (0.48) ALDH1A1TSHRLTA4H
SCHEMBL28780452 0.82 EPHX2 (0.50) ALDH1A1TSHRKCNH2EPHX2LTA4H
SCHEMBL8551187 0.82 ST14 (0.48) ALDH1A1TSHRLTA4H
SCHEMBL2056132 0.82 TSHR (0.53) ALDH1A1TSHRKCNH2EPHX2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697232-B1 6,7-DIHYDROIMIDAZO[2,1-B][1,3]OXAZINE BACTERICIDES OTSUKA PHARMA CO LTD (JP) 2016-05-18 EP disclosed
US-9051333-B2 6,7-dihydroimidazo [2,1-b] [1,3]oxazine bactericides OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-06-09 US disclosed
EP-2697232-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B][1, 3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-02-19 EP disclosed
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
WO-2012141338-A1 6,7 - DIHYDROIMIDAZO [2, 1 - B] [1, 3] OXAZINE BACTERICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-18 WO disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 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 (3 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 ALDH1A1 905/4885TSHR 1971/4885KCNH2 847/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 ALDH1A1 877/4885TSHR 1888/4885KCNH2 1029/4885
US-20140031342-A1 6,7-DIHYDROIMIDAZO [2,1-b] [1,3]OXAZINE BACTERICIDES BRD1, OXA1L, QDPR ALDH1A1 109/4885TSHR 1671/4885KCNH2 600/4885

“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.