SCHEMBL16206151

SCHEMBL16206151

COc1ccc(-c2cccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
SLC22A12 Q96S37 1/20 0.37
GRM5 P41594 1/20 0.37
KDR P35968 4/20 0.36
RIOK2 Q9BVS4 3/20 0.36
PIK3CD O00329 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
EPHB4 P54760 2/20 0.35
TEK Q02763 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
GRM2 Q14416 1/20 0.35
PPARG P37231 1/20 0.35
FFAR1 O14842 1/20 0.34
PDE1B Q01064 1/20 0.34
OXTR P30559 1/20 0.34
CTSA P10619 1/20 0.34

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
SCHEMBL17614550 0.90 SLC22A12 (0.39) SLC22A12EGLN1PPARGFFAR1
SCHEMBL16206146 0.89 SLC22A12 (0.42) SLC22A12FFAR1
SCHEMBL17615148 0.89 OXTR (0.38) HSD17B1HSD17B2PPARGFFAR1OXTR
SCHEMBL17744691 0.89 OXTR (0.40) HSD17B1HSD17B2KDRRIOK2PIK3CD
SCHEMBL17614547 0.89 PTGER4 (0.40) SLC22A12FFAR1
SCHEMBL16206129 0.88 OXTR (0.39) HSD17B1HSD17B2PPARGFFAR1OXTR
SCHEMBL16206093 0.87 SLC22A12 (0.39) SLC22A12FFAR1
SCHEMBL16206012 0.87 FFAR1 (0.37) HSD17B1HSD17B2EPHB4PPARGFFAR1
SCHEMBL16206049 0.86 PIK3CA (0.39) HSD17B1HSD17B2KDRRIOK2PIK3CD
SCHEMBL16206150 0.86 SLC22A12 (0.41) SLC22A12FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
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
WO-2014175465-A1 TETRAZOLINONE COMPOUND AND USE OF SAME 住友化学株式会社 (JP) 2014-10-30 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-20160081339-A1 TETRAZOLINONE COMPOUND AND USE OF SAME MT-CO1, SOD1, MT-CO2 HSD17B1 443/4885HSD17B2 763/4885SLC22A12 3344/4885

“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.