SCHEMBL17616664

SCHEMBL17616664

CCc1cc(C)ccc1OCc1ccccc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
PTGER1 P34995 2/20 0.48
PTGER4 P35408 2/20 0.48
PTGER3 P43115 2/20 0.48
PTGER2 P43116 2/20 0.48
KDM4E B2RXH2 2/20 0.47
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
MRGPRX4 Q96LA9 3/20 0.45
FOLH1 Q04609 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.43
FFAR1 O14842 1/20 0.40

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
SCHEMBL17616608 0.89 MRGPRX4 (0.58) L3MBTL1SMN1; SMN2MAPTHTTLMNA
SCHEMBL8782224 0.88 PTGER1 (0.47) L3MBTL1SMN1; SMN2MAPTHTTLMNA
SCHEMBL17616657 0.87 MRGPRX4 (0.51) L3MBTL1SMN1; SMN2MAPTHTTLMNA
SCHEMBL17616619 0.85 MAPT (0.48) L3MBTL1SMN1; SMN2MAPTHTTLMNA
SCHEMBL17616662 0.85 MRGPRX4 (0.60) L3MBTL1SMN1; SMN2MAPTHTTLMNA
SCHEMBL8782368 0.84 PTGER1 (0.45) L3MBTL1SMN1; SMN2MAPTHTTLMNA
SCHEMBL17616658 0.82 FFAR1 (0.47) L3MBTL1SMN1; SMN2MAPTHTTLMNA
SCHEMBL18178489 0.78 L3MBTL1 (0.48) L3MBTL1SMN1; SMN2MAPTLMNAPTGER1
SCHEMBL18749825 0.78 KDM4E (0.48) L3MBTL1SMN1; SMN2MAPTHTTPTGER1
SCHEMBL17616638 0.78 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2MAPTHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
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
EP-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION 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 (2 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 L3MBTL1 170/4885SMN1; SMN2 3877/4885MAPT 2985/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 L3MBTL1 458/4885SMN1; SMN2 2650/4885MAPT 3398/4885

“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.