SCHEMBL17217243

SCHEMBL17217243

CC(C)(C)O/N=[C]/c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17217245 1.00 APP (0.35) APPMAPK1TSHRALDH1A1ALOX15
SCHEMBL17216851 0.81 ALDH1A1 (0.38) TSHRALDH1A1TDP1
SCHEMBL17216853 0.81 ALDH1A1 (0.38) TSHRALDH1A1TDP1
SCHEMBL17218667 0.79 KIF11 (0.42) TSHRALDH1A1
SCHEMBL17215846 0.79 ACHE (0.31) —
SCHEMBL17216730 0.79 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL17218669 0.79 KIF11 (0.42) TSHRALDH1A1
SCHEMBL17219097 0.79 MEN1 (0.34) MAPT
SCHEMBL17219100 0.79 MEN1 (0.34) MAPT
SCHEMBL17216732 0.79 ALDH1A1 (0.33) TSHRALDH1A1

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
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 — — EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 — — EP 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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 APP 3709/4885MAPK1 1283/4885TSHR 19/4885

“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.

Send feedback