SCHEMBL6717698

SCHEMBL6717698

CC(C)CC(C)OC(=O)[S]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ANPEP P15144 3/20 0.36
LAP3 P28838 2/20 0.36
ERAP1 Q9NZ08 1/20 0.36
TSHR P16473 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
TBXA2R P21731 1/20 0.33
CACNA2D1 P54289 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL2074362 0.79
SCHEMBL6717703 0.79 RNPEP (0.42) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL609299 0.78 CYP19A1 (0.42) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL14087827 0.76 TSHR (0.56) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL4450285 0.76 CYP19A1 (0.41) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL609300 0.76 RNPEP (0.44) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL766233 0.76 TSHR (0.56) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL6718086 0.75
SCHEMBL4923058 0.74 ALDH1A1 (0.41) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL4009819 0.74 CYP19A1 (0.48) CYP19A1RNPEPSLC7A5ANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6737544-B1 HEATING ABOVE MELTING POINT BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 US disclosed
US-6639070-B1 4-substituted 1,3,4-oxadiazines; herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-10-28 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1077954-A1 SUBSTITUTED 6-ARYL-3-THIOXO-5-(THI)OXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0998468-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 2000-05-10 EP disclosed
EP-0971904-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 2000-01-19 EP disclosed
WO-1999059983-A1 SUBSTITUTED 6-ARYL-3-THIOXO-5-(THI)OXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINES BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 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 (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-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CYP19A1 151/4885RNPEP 3959/4885SLC7A5 3819/4885

“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.