SCHEMBL17616638

SCHEMBL17616638

CCc1cc(C)ccc1OCc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PTGER1 P34995 2/20 0.45
PTGER4 P35408 2/20 0.45
PTGER3 P43115 2/20 0.45
PTGER2 P43116 2/20 0.45
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 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
SCHEMBL16273699 0.85 KMT2A (0.40) L3MBTL1KDM4ESLC6A4ALDH1A1GAA
SCHEMBL17616639 0.84 L3MBTL1 (0.49) L3MBTL1KDM4ESLC6A4ALDH1A1TSHR
SCHEMBL17616592 0.82 L3MBTL1 (0.51) L3MBTL1KDM4ESLC6A4ALDH1A1SMN1; SMN2
SCHEMBL17616640 0.82 MAPT (0.51) L3MBTL1KDM4ESLC6A4ALDH1A1GAA
SCHEMBL21318001 0.79 PTGDR2 (0.39) L3MBTL1KDM4ESLC6A4ALDH1A1TSHR
SCHEMBL17616664 0.78 L3MBTL1 (0.49) L3MBTL1KDM4EPTGER1PTGER4PTGER3
SCHEMBL17616608 0.78 MRGPRX4 (0.58) L3MBTL1KDM4EPTGER1PTGER4PTGER3
SCHEMBL17616594 0.78 FFAR1 (0.43) SLC6A4ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL13793923 0.78 L3MBTL1 (0.51) L3MBTL1KDM4EPTGER1PTGER4PTGER3
SCHEMBL17616584 0.77 ALDH1A1 (0.49) L3MBTL1KDM4EALDH1A1GAASMN1; SMN2

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 L3MBTL1 170/4885KDM4E 3200/4885PTGER1 2546/4885
US-20160081340-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME CYP2E1, MT-CO2, CASP3 L3MBTL1 458/4885KDM4E 2537/4885PTGER1 3611/4885

“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.