SCHEMBL8912245

SCHEMBL8912245

[O]Cc1ccc2ccccc2c1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
HPRT1 P00492 2/20 0.41
PAX8 Q06710 1/20 0.39
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CES1 P23141 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL27767874 0.88 CYP2A6 (0.44) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL21470098 0.81 HSD17B10 (0.46) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL6399345 0.79 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL8476855 0.79 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL16414608 0.75 POLB (0.50) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL8895165 0.75 CYP2A6 (0.54) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL20020372 0.75 MAPT (0.40) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL3668888 0.75 HTR2A (0.42) ALDH1A1HSD17B10TDP1CYP2A6TSHR
Hydrochloric Acid SCHEMBL20564378 0.75 TAAR1 (0.48) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL301406 0.75 ALDH1A1 (0.39) ALDH1A1HSD17B10TDP1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-1997040010-A1 HALOGENATED NAPHTHYL METHOXY PIPERIDINES FOR MAPPING SEROTONIN TRANSPORTER SITES EMORY UNIVERSITY (US) 1997-10-30 WO 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-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 ALDH1A1 1716/4885HSD17B10 71/4885TDP1 3755/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 ALDH1A1 1594/4885HSD17B10 141/4885TDP1 4060/4885

“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.