SCHEMBL697571

SCHEMBL697571

CCCCC(C)OC(C)([O])C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CA2 P00918 6/20 0.34
CA1 P00915 3/20 0.34
FAAH O00519 5/20 0.34
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
FDPS P14324 1/20 0.30
DNM1 Q05193 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
SCHEMBL15931246 0.78 DNM1 (0.35) CTSKCA2CA1FAAHMAPK1
SCHEMBL23378638 0.74 CA2 (0.36) CTSKCA2CA1FAAHMAPK1
SCHEMBL2425106 0.74 OPRM1 (0.36) CTSKCA2CA1FAAHMAPK1
SCHEMBL2422339 0.68 OPRM1 (0.34) DNM1
2,2,3-Trimethylbutane SCHEMBL23610948 0.67 LMNA (0.39) CTSKCA2CA1MAPK1TSHR
SCHEMBL7101242 0.67
SCHEMBL18242601 0.67
SCHEMBL28181162 0.67
SCHEMBL28419132 0.67 FAAH (0.33) CTSKCA2CA1FAAHMAPK1
SCHEMBL635647 0.66 DNM1 (0.41) CA2CA1FAAHMAPK1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668845-B1 HERBICIDALLY ACTIVE 3-PHENYL-5-TRIFLUORMETHYLISOXAZOLIN-5-CARBOXAMIDES OF CYCLOPENTYL CARBOXYLIC ACIDS AND ESTERS BAYER AG (DE) 2024-06-26 EP disclosed
EP-4378314-A2 HERBICIDAL COMPOSITIONS Bayer AG (DE) 2024-06-05 EP disclosed
EP-4358718-A1 (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXY ALKYL ACIDS AND THEIR DERIVATIVES, THEIR SALTS AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2024-05-01 EP disclosed
WO-2024078871-A1 1-PYRIDYL-5-PHENYLPYRAZOLYL-3-OXY- AND -3-THIOALKYL ACIDS AND DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 WO disclosed
EP-3713417-B1 HERBICIDALLY ACTIVE BICYCLIC BENZAMIDES BAYER AG (DE) 2024-01-17 EP disclosed
EP-2670747-B1 HETEROARYL PIPERIDINE AND HETEROARYL PIPERAZINE DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2023-07-19 EP disclosed
EP-3853219-B1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AG (DE) 2023-07-12 EP disclosed
WO-2023099381-A1 (1,4,5-TRISUBSTITUTED-1H-PYRAZOLE-3-YL)OXY-2-ALKOXYTHIO ALKYL ACIDS AND DERIVATIVES THEREOF, THEIR SALTS AND THEIR USE AS HERBICIDAL ACTIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-08 WO disclosed
EP-3937637-B1 HERBICIDAL 3-PHENYLISOXAZOLIN-5-CARBOXAMIDES OF S-CONTAINING CYCLOPENTENYL CARBOXYLIC ACID ESTERS BAYER AG (DE) 2023-04-19 EP disclosed
WO-2023274869-A1 3-(4-ALKENYL-PHENYL)-3-PYRROLINO-2-ONES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-01-05 WO disclosed
US-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents BAYER CROPSCIENCE AG (DE) 2010-07-29 US disclosed
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES BAYER CROPSCIENCE AG (DE) 2010-07-08 US disclosed
EP-2204366-A1 Herbicidal and insecticidal phenyl-substituted pyridazinones Bayer CropScience AG (DE) 2010-07-07 EP disclosed
WO-2010066353-A1 THIAZOLYL OXIME ETHER AND HYDRAZONES ASL PLANT PROTECTION AGENT BAYER CROPSCIENCE AG (DE) 2010-06-17 WO disclosed
WO-2010037479-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2010-04-08 WO disclosed
WO-2009115267-A2 DIAMINOPYRIMIDINES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2009-09-24 WO disclosed
EP-2042491-A1 Pyridazines as fungicides Bayer CropScience AG (DE) 2009-04-01 EP disclosed
EP-1978023-A1 Pyridazines as fungicides Bayer CropScience Aktiengesellschaft (DE) 2008-10-08 EP disclosed
EP-1974608-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-10-01 EP disclosed
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 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 (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-20100190828-A1 Thiazolyl oxime ethers and hydrazones as crop protection agents OXSR1, FOXO1, HAX1 CTSK 4141/4885CA2 622/4885CA1 664/4885
US-20100173775-A1 HERBICIDALLY AND INSECTICIDALLY ACTIVE 4-PHENYL-SUBSTITUTED PYRIDAZINONES CYP4X1, PRDX4, PRDX1 CTSK 1943/4885CA2 1189/4885CA1 3852/4885

“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.