SCHEMBL17614543

SCHEMBL17614543

Cc1ccc(-c2cccc(OCc3c(C4CC4)cccc3-n3nnn(C)c3=O)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.35
FABP1 P07148 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BACE1 P56817 3/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
PTGER4 P35408 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
ALOX5 P09917 1/20 0.33
DHODH Q02127 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 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
SCHEMBL16206030 0.92 NR1H4 (0.37) NR1H4FABP1CHRNB1CHRNB2CHRNB4
SCHEMBL17614625 0.89 MAOA (0.40) MAPT
SCHEMBL16206150 0.86 SLC22A12 (0.41) NR1H4CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL18546270 0.85 SLC6A2 (0.38) S1PR1S1PR5
SCHEMBL17614544 0.85 PTGER4 (0.37) NR1H4CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL17614542 0.85 MAPT (0.46) NR1H4FABP1CYP3A4MAPTCYP2C9
SCHEMBL16999066 0.83 PTGDR2 (0.39) CYP2C19
SCHEMBL17614526 0.83 HSD11B1 (0.32) BACE1
SCHEMBL16999057 0.82 MRGPRX4 (0.38) MAPT
SCHEMBL17811652 0.81 NR1H4 (0.31) NR1H4

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 NR1H4 1997/4885FABP1 4120/4885CHRNB1 3876/4885

“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.