SCHEMBL16273618

SCHEMBL16273618

CCOC(=O)c1c(C)c(-c2ccc(OCc3ccccc3-n3nnn(C)c3=O)c(C)c2)nn1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.38
PDE4B Q07343 8/20 0.38
PDE4C Q08493 8/20 0.38
PDE4D Q08499 8/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
F10 P00742 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL16273679 0.93 HPGD (0.36) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL17600083 0.93 MRGPRX4 (0.36) MRGPRX4MAPTHPGDKDM4EPOLB
SCHEMBL17600246 0.91 HPGD (0.33) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL16273621 0.91 MRGPRX4 (0.33) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL16911589 0.90 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL16273684 0.86 MRGPRX4 (0.38) MRGPRX4HPGDP2RX3PSD
SCHEMBL16273667 0.84 MRGPRX4 (0.35) MRGPRX4HPGD
SCHEMBL16273688 0.84 MRGPRX4 (0.35) MRGPRX4MAPTHPGDKDM4EP2RX3
SCHEMBL16910707 0.84 MRGPRX4 (0.34) PDE4APDE4BPDE4CPDE4DPSEN1
SCHEMBL16273742 0.84 MEN1 (0.33) PDE4APDE4BPDE4CPDE4DPSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-03-24 US disclosed
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 WO 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-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 PDE4A 3888/4885PDE4B 3978/4885PDE4C 3761/4885

“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.