SCHEMBL16987247

SCHEMBL16987247

CCOC(=O)c1c(C)c(-c2ccc(OCc3c(C4CC4)cccc3-n3nnn(C)c3=O)c(C)c2)nn1C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.35
POLB P06746 3/20 0.34
ALDH1A1 P00352 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
SLC34A1 Q06495 2/20 0.31
MAPK1 P28482 1/20 0.30
P2RX3 P56373 1/20 0.30
PSD A5PKW4 1/20 0.30
HPGD P15428 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
SCHEMBL16987277 0.93 NR1H4 (0.38) NR1H4POLBMRGPRX4TP53MAPT
SCHEMBL16987224 0.91 NR1H4 (0.37) NR1H4POLBMRGPRX4TP53MAPT
SCHEMBL16987227 0.91 NR1H4 (0.35) NR1H4POLBMRGPRX4TP53MAPT
SCHEMBL16627196 0.90 MRGPRX4 (0.35) POLBALDH1A1MRGPRX4TP53MAPT
SCHEMBL16910707 0.89 MRGPRX4 (0.34) POLBALDH1A1MRGPRX4TP53MAPT
SCHEMBL16962678 0.89 NR1H4 (0.34) NR1H4POLBTP53MAPTP2RX3
SCHEMBL16999022 0.88 NR1H4 (0.35) NR1H4POLBMRGPRX4
SCHEMBL16910786 0.88 NR1H4 (0.37) NR1H4ALDH1A1MRGPRX4SLC34A1
SCHEMBL16999023 0.88 NR1H4 (0.34) NR1H4POLB
SCHEMBL16987228 0.87 NR1H4 (0.34) NR1H4POLBALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900654-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-17 EP disclosed
EP-2900654-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-17 EP disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-9554576-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-31 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-30 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-9314023-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 US disclosed
US-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-13 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-20150223460-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYCS, MT-CO3, OXER1 NR1H4 1529/4885POLB 4503/4885ALDH1A1 1942/4885
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYP51A1, TCOF1, DDT NR1H4 2515/4885POLB 4720/4885ALDH1A1 962/4885

“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.