SCHEMBL17614580

SCHEMBL17614580

Cc1cccc(-c2cc(OCc3c(C)cccc3-n3nnn(C)c3=O)ccc2C)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.35
PPARD Q03181 6/20 0.35
MAOB P27338 3/20 0.35
SLC22A12 Q96S37 1/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GYS1 P13807 1/20 0.33
ADORA2B P29275 1/20 0.33
GRM5 P41594 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
SCHEMBL16442779 0.92 FFAR1 (0.37) FFAR1MAOBSLC22A12MAOAALDH1A1
SCHEMBL16206156 0.92 FFAR1 (0.38) FFAR1PPARDSLC22A12FFAR4GYS1
SCHEMBL17614595 0.92 FFAR1 (0.34) FFAR1PPARDMAOBSLC22A12MAOA
SCHEMBL17614581 0.91 GYS1 (0.38) FFAR1PPARDMAOBSLC22A12MAOA
SCHEMBL17615395 0.90 FFAR1 (0.41) FFAR1PPARDMAOBSLC22A12GYS1
SCHEMBL17614548 0.90 SLC22A12 (0.42) FFAR1MAOBSLC22A12MAOAALDH1A1
SCHEMBL16205972 0.88 GYS1 (0.39) FFAR1PPARDALDH1A1GYS1
SCHEMBL17614619 0.88 MAOA (0.44) MAOBSLC22A12MAOAALDH1A1
SCHEMBL16205976 0.87 GYS1 (0.42) FFAR1PPARDGYS1GRM5
SCHEMBL17614583 0.87 GYS1 (0.36) FFAR1MAOBSLC22A12MAOAGYS1

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 FFAR1 1688/4885PPARD 2520/4885MAOB 1360/4885

“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.