SCHEMBL16206012

SCHEMBL16206012

COc1ccc(-c2cc(OCc3c(C)cccc3-n3nnn(C)c3=O)ccc2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
OXTR P30559 5/20 0.36
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
ANO1 Q5XXA6 1/20 0.35
ERN1 O75460 1/20 0.35
PIK3CA P42336 1/20 0.35
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
EPHB4 P54760 1/20 0.34
STIM1 Q13586 2/20 0.34
ORAI1 Q96D31 2/20 0.34
PPARG P37231 1/20 0.34
CTSA P10619 1/20 0.33

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
SCHEMBL17615148 0.92 OXTR (0.38) FFAR1OXTRAVPR2AVPR1APIK3CA
SCHEMBL16206129 0.91 OXTR (0.39) FFAR1OXTRAVPR2AVPR1AHSD17B1
SCHEMBL17614596 0.91 FFAR4 (0.37) FFAR1ANO1PPARG
SCHEMBL16206014 0.90 FFAR1 (0.42) FFAR1ANO1STIM1ORAI1
SCHEMBL17614598 0.88 ANO1 (0.40) FFAR1ANO1STIM1ORAI1
SCHEMBL17614599 0.88 GYS1 (0.40) FFAR1ANO1STIM1ORAI1
SCHEMBL16206015 0.87 FFAR1 (0.41) FFAR1STIM1ORAI1
SCHEMBL16206151 0.87 HSD17B1 (0.42) FFAR1OXTRHSD17B1HSD17B2EPHB4
SCHEMBL17614597 0.87 GYS1 (0.37) FFAR1ANO1
SCHEMBL16206009 0.87 FFAR1 (0.37) FFAR1ANO1STIM1ORAI1

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 FFAR1 1688/4885OXTR 1229/4885AVPR2 2892/4885

“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.