SCHEMBL16442865

SCHEMBL16442865

Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.40
L3MBTL1 Q9Y468 4/20 0.36
MAPK1 P28482 4/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 4/20 0.34
TDP1 Q9NUW8 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
TYMS P04818 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL16442780 0.94 MRGPRX4 (0.47) MRGPRX4L3MBTL1MAPK1TSHRHPGD
SCHEMBL17806065 0.93 MRGPRX4 (0.40) MRGPRX4L3MBTL1MAPK1TSHRHPGD
SCHEMBL17806097 0.93 MRGPRX4 (0.39) MRGPRX4L3MBTL1MAPTNR1H4SLC22A12
SCHEMBL17788128 0.92 MRGPRX4 (0.39) MRGPRX4L3MBTL1MAPTNR1H4NPC1
SCHEMBL17806061 0.92 MRGPRX4 (0.39) MRGPRX4L3MBTL1MAPK1MAPTNR1H4
SCHEMBL17806079 0.92 MRGPRX4 (0.39) MRGPRX4NR1H4CYP3A4CYP2C9CYP1A2
SCHEMBL17614545 0.92 SLC22A12 (0.38) MRGPRX4L3MBTL1MAPK1TSHRHPGD
SCHEMBL16442863 0.91 MRGPRX4 (0.43) MRGPRX4L3MBTL1MAPK1TSHRHPGD
SCHEMBL16442833 0.91 MRGPRX4 (0.39) MRGPRX4L3MBTL1MAPK1TSHRHPGD
SCHEMBL17806066 0.91 MRGPRX4 (0.36) MRGPRX4L3MBTL1MAPTNR1H4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 MRGPRX4 1910/4885L3MBTL1 170/4885MAPK1 568/4885

“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.