SCHEMBL16442863

SCHEMBL16442863

Cc1ccc(OCc2c(C)cccc2-n2nnn(C)c2=O)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.43
L3MBTL1 Q9Y468 5/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
LMNA P02545 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL16442808 0.92 L3MBTL1 (0.38) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL16442865 0.91 MRGPRX4 (0.40) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL17806065 0.91 MRGPRX4 (0.40) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL16442854 0.90 MRGPRX4 (0.44) MRGPRX4L3MBTL1HPGDMAPK1MAPT
SCHEMBL16920795 0.90 MRGPRX4 (0.41) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL17286750 0.90 MRGPRX4 (0.41) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL16920766 0.90 PTGER1 (0.34) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL16920768 0.90 MRGPRX4 (0.41) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL16920776 0.90 HTR1A (0.42) MRGPRX4L3MBTL1HPGDTSHRMAPK1
SCHEMBL16920808 0.90 MRGPRX4 (0.41) MRGPRX4L3MBTL1HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828389-B2 Tetrazolinone compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-28 US disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 US disclosed
US-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-23 US disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 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 (3 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 MRGPRX4 1910/4885L3MBTL1 170/4885HPGD 4608/4885
US-20150203511-A1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES CYCS, MT-CO3, CYP4F11 MRGPRX4 1919/4885L3MBTL1 232/4885HPGD 4561/4885
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 MRGPRX4 1822/4885L3MBTL1 6/4885HPGD 4830/4885

“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.