SCHEMBL16414735

SCHEMBL16414735

OCCCCCCCc1ccc(I)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.53
SPHK2 Q9NRA0 6/20 0.47
SPHK1 Q9NYA1 6/20 0.47
CYP4A11 Q02928 2/20 0.47
CYP4F2 P78329 1/20 0.47
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SHBG P04278 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
ADRB3 P13945 1/20 0.42

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
SCHEMBL16414588 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL2314633 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL16414974 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL15352379 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL1263897 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL7596180 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL1264259 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL16414507 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL16415200 1.00 CA2 (0.53) CA2SPHK2SPHK1CYP4A11CYP4F2
SCHEMBL2307575 0.98 CA2 (0.52) CA2SPHK2SPHK1CYP4A11CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CA2 1497/4885SPHK2 3232/4885SPHK1 2823/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 CA2 1106/4885SPHK2 3055/4885SPHK1 2853/4885

“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.