SCHEMBL17616618

SCHEMBL17616618

Cc1cc(C)c(OCc2ccccc2N=C=O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
TRPA1 O75762 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR4 Q5NUL3 6/20 0.36
FFAR1 O14842 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CD274 Q9NZQ7 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
SLC1A5 Q15758 1/20 0.33
MAOB P27338 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
SCHEMBL16273632 0.91 CYP3A4 (0.37) CYP3A4TRPA1PTGDR2CDK4CCND1
SCHEMBL17616649 0.89 FFAR1 (0.39) CYP3A4TRPA1PTGDR2CDK4CCND1
SCHEMBL17616590 0.89 MRGPRX4 (0.39) CYP3A4TRPA1PTGDR2CDK4CCND1
SCHEMBL17616598 0.89 FFAR4 (0.41) CYP3A4TRPA1PTGDR2CDK4CCND1
SCHEMBL17616643 0.87 L3MBTL1 (0.43) CYP3A4MAPTRAB9AFFAR4FFAR1
SCHEMBL16273619 0.86 FFAR4 (0.41) CYP3A4FFAR4FFAR1CD274MRGPRX4
SCHEMBL16920905 0.85 GABRA1 (0.42) CYP3A4TRPA1PTGDR2GABRA1GABRB2
SCHEMBL16273615 0.85 MRGPRX4 (0.39) CYP3A4PTGDR2MAPTRAB9ANPSR1
SCHEMBL16273627 0.85 FFAR4 (0.41) CYP3A4PTGDR2MAPTRAB9AFFAR4
SCHEMBL16920900 0.84 CYP3A4 (0.45) CYP3A4TRPA1GABRA1GABRB2MAPT

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 3 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-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 (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-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 CYP3A4 17/4885TRPA1 207/4885PTGDR2 3306/4885

“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.