SCHEMBL429406

SCHEMBL429406

COc1[c]ccc(C2CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
QDPR P09417 2/20 0.36
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
DRD2 P14416 2/20 0.33
PTAFR P25105 2/20 0.32
TGFBR1 P36897 2/20 0.31
ACVR1 Q04771 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
HIF1A Q16665 1/20 0.31
ESR2 Q92731 1/20 0.31
KCNH2 Q12809 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL27655297 0.93 PDE4B (0.36) HTR2CQDPRPDE4APDE4BPDE4C
SCHEMBL23706025 0.85 PTPN1 (0.30)
SCHEMBL15352997 0.79 PDE4A (0.32) PDE4ADRD2
SCHEMBL15353176 0.79 DHODH (0.32) HTR1AADRA1DHIF1A
SCHEMBL15353303 0.78 PDE4A (0.33) PDE4APDE4BPDE4CPDE4D
SCHEMBL28241529 0.76 HTR2C (0.33) HTR2C
SCHEMBL28241525 0.76
SCHEMBL25412227 0.75 TSHR (0.47)
SCHEMBL458962 0.72 HTR2C (0.37) HTR2CQDPRESR2
SCHEMBL15352612 0.72 ESR2 (0.34) HTR2CQDPRPDE4APDE4BPDE4C

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO claimed
US-9609870-B2 Herbicidal isoxazolo[5,4-b]pyridines BASF SE (DE) 2017-04-04 US claimed
CN-105685064-A HERBICIDAL ISOXAZOLO[5,4-b]PYRIDINES 巴斯夫欧洲公司 2016-06-22 CN claimed
US-20160037776-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2016-02-11 US claimed
EP-2595995-B1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2015-11-25 EP claimed
EP-2595995-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2013-05-29 EP claimed
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 US claimed
WO-2012010633-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2012-01-26 WO claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 CN disclosed
WO-2021078120-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2021-04-29 WO disclosed
US-10986839-B2 Substituted oxadiazoles for combating phytopathogenic fungi BASF SE (DE) 2021-04-27 US disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-2595995-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2013-05-29 EP disclosed
US-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines BASF SE (DE) 2013-05-16 US disclosed
WO-2012010633-A1 HERBICIDAL ISOXAZOLO[5,4-B]PYRIDINES BASF SE (DE) 2012-01-26 WO disclosed
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2011-05-05 US disclosed
EP-2307397-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2011-04-13 EP disclosed
WO-2009158426-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2009-12-30 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 (4 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-20130123105-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 HTR2C 1138/4885QDPR 234/4885PDE4A 524/4885
US-20160037776-A1 Herbicidal Isoxazolo[5,4-B]pyridines CYP4X1, PNPO, PRDX4 HTR2C 1138/4885QDPR 234/4885PDE4A 524/4885
US-20110105463-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES GPR52, CD22, CD4 HTR2C 889/4885QDPR 428/4885PDE4A 1478/4885
US-10986839-B2 Substituted oxadiazoles for combating phytopathogenic fungi CYP51A1, ERG28, DPM1 HTR2C 3996/4885QDPR 2263/4885PDE4A 3295/4885

“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.