SCHEMBL17614526

SCHEMBL17614526

Cc1ccc(-c2cccc(OCc3c(C4CC4)cccc3-n3nnn(C)c3=O)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
RAD51 Q06609 1/20 0.32
GLP1R P43220 2/20 0.32
PDE10A Q9Y233 1/20 0.31
BACE1 P56817 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL16206051 0.92 HCRTR1 (0.34) GLP1RCYP11B1CYP11B2
SCHEMBL16206001 0.91 KDM4E (0.34) GLP1RPDE10ABACE1
SCHEMBL17811652 0.88 NR1H4 (0.31)
SCHEMBL16206095 0.87 HTR7 (0.34) CYP11B1CYP11B2
SCHEMBL17614554 0.85 MAPT (0.39) HSD11B1CYP11B1CYP11B2
SCHEMBL17614528 0.85 BTK (0.31) CYP11B1CYP11B2
SCHEMBL16205951 0.84 HTR7 (0.34) GLP1R
SCHEMBL17614543 0.83 NR1H4 (0.35) BACE1
SCHEMBL16437221 0.81 NR1H4 (0.30)
SCHEMBL17796910 0.81 PDK2 (0.35) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 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 (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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 HSD11B1 903/4885RAD51 2481/4885GLP1R 1973/4885

“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.