SCHEMBL16987248

SCHEMBL16987248

COc1c(C)c(-c2ccc(OCc3c(C4CC4)cccc3-n3nnn(C)c3=O)c(C)c2)nn1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
TP53 P04637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL16962678 0.94 NR1H4 (0.34) NR1H4TP53RXFP1
SCHEMBL16987232 0.92 NR1H4 (0.36) NR1H4
SCHEMBL16999022 0.92 NR1H4 (0.35) NR1H4
SCHEMBL16987272 0.91 NR1H4 (0.34) NR1H4
SCHEMBL16999023 0.90 NR1H4 (0.34) NR1H4
SCHEMBL16987282 0.90 NR1H4 (0.37) NR1H4
SCHEMBL16627886 0.89 TP53 (0.34) TP53RXFP1
SCHEMBL16911704 0.88 TP53 (0.33) TP53RXFP1
SCHEMBL16987277 0.88 NR1H4 (0.38) NR1H4TP53RXFP1
SCHEMBL16963981 0.88 NR1H4 (0.33) NR1H4

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 1529/4885TP53 3609/4885RXFP1 433/4885
US-20160183529-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYP51A1, TCOF1, DDT NR1H4 2515/4885TP53 4465/4885RXFP1 2281/4885

“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.