SCHEMBL17806097

SCHEMBL17806097

Cc1ccc(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.39
SLC22A12 Q96S37 2/20 0.34
NR1H4 Q96RI1 2/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA1 P30542 1/20 0.31
BACE1 P56817 1/20 0.31
THRB P10828 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
PTGER1 P34995 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16442865 0.93 MRGPRX4 (0.40) MRGPRX4SLC22A12NR1H4CYP3A4CYP2C9
SCHEMBL16442780 0.93 MRGPRX4 (0.47) MRGPRX4SLC22A12NR1H4CYP3A4CYP2C9
SCHEMBL17806065 0.92 MRGPRX4 (0.40) MRGPRX4SLC22A12NR1H4GRIN1GRIN2B
SCHEMBL17806066 0.92 MRGPRX4 (0.36) MRGPRX4SLC22A12NR1H4CYP3A4CYP2C9
SCHEMBL17788128 0.91 MRGPRX4 (0.39) MRGPRX4SLC22A12NR1H4GRIN1GRIN2B
SCHEMBL17806061 0.91 MRGPRX4 (0.39) MRGPRX4NR1H4CYP3A4CYP1A2CYP2D6
SCHEMBL17806079 0.91 MRGPRX4 (0.39) MRGPRX4NR1H4GRIN1GRIN2BCYP3A4
SCHEMBL16442793 0.91 MRGPRX4 (0.37) MRGPRX4NR1H4GRIN1GRIN2BADORA1
SCHEMBL17806101 0.91 MRGPRX4 (0.35) MRGPRX4SLC22A12NR1H4CYP3A4CYP2C9
SCHEMBL17806069 0.90 MRGPRX4 (0.39) MRGPRX4GRIN1GRIN2BPTGER1

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-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

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 1910/4885SLC22A12 3833/4885NR1H4 1489/4885

“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.