SCHEMBL17616660

SCHEMBL17616660

CC(=O)c1ccccc1COc1cc(C)c(C)c(F)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 2/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
SGMS2 Q8NHU3 2/20 0.40
FOLH1 Q04609 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL17616648 0.90 MRGPRX4 (0.54) MRGPRX4TP53HTTFOLH1ALDH1A1
SCHEMBL17616659 0.85 MRGPRX4 (0.52) MRGPRX4SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL17616607 0.84 MAOB (0.41) MRGPRX4SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL17616599 0.82 TP53 (0.46) MRGPRX4SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL17616621 0.80 MRGPRX4 (0.46) MRGPRX4MAPTMAOBTP53HTT
SCHEMBL16273613 0.80 MRGPRX4 (0.52) MRGPRX4MAPTTDP1TP53HTT
SCHEMBL8948906 0.79 RXRA (0.51) SMN1; SMN2MAPTMAOBTP53HTT
SCHEMBL19987592 0.78 LTB4R (0.43) MRGPRX4SMN1; SMN2MAPTCYP2C9CYP2C19
SCHEMBL17616663 0.78 MRGPRX4 (0.54) MRGPRX4MAPTMAOBTP53HTT
SCHEMBL17616641 0.78 MRGPRX4 (0.36) MRGPRX4MAPTTDP1L3MBTL1HTT

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
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
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 MRGPRX4 1910/4885SMN1; SMN2 3877/4885MAPT 2985/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 MRGPRX4 2185/4885SMN1; 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.