SCHEMBL4450285

SCHEMBL4450285

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
ANPEP P15144 3/20 0.37
LAP3 P28838 2/20 0.37
ERAP1 Q9NZ08 1/20 0.37
TSHR P16473 3/20 0.34
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM1 P11229 2/20 0.34
TBXA2R P21731 1/20 0.34
CACNA2D1 P54289 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
PGR P06401 1/20 0.33
ADRA1A P35348 1/20 0.33

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
SCHEMBL1766580 0.82 TSHR (0.31) CYP19A1TSHRCHRM2CHRM4CHRM1
SCHEMBL225529 0.81 CYP19A1 (0.40) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL609299 0.80 CYP19A1 (0.42) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL609300 0.78 RNPEP (0.44) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL14087827 0.78 TSHR (0.56) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL381391 0.78
SCHEMBL766233 0.78 TSHR (0.56) CYP19A1RNPEPSLC7A5ANPEPLAP3
SCHEMBL8813506 0.76
SCHEMBL8813733 0.76
SCHEMBL225530 0.76 TSHR (0.58) 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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
US-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
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
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0844000-A1 Use of alpha, omega-diarylalkane derivatives in the treatment and prevention of psychosis SANKYO COMPANY LIMITED (JP) 1998-05-27 EP 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
EP-0790235-A1 Diaryl alkane derivatives containing an alicyclic group, their preparation and their therapeutic and prophylactic uses SANKYO COMPANY LIMITED (JP) 1997-08-20 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-5556864-A TREATMENT OF CIRCULATORY DISEASES AND PSYCHOSIS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0600717-A1 Phenoxyalkylamines, -pyrrolidines and -piperidines for the treatment and prevention of circulatory diseases and psychosis SANKYO COMPANY LIMITED (JP) 1994-06-08 EP disclosed
WO-1993011669-A1 USE OF 3-PHENYLURACIL DERIVATIVES FOR THE DESICCATION AND ABSCISSION OF PLANT PARTS BASF AKTIENGESELLSCHAFT (DE) 1993-06-24 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 (3 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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 CYP19A1 182/4885RNPEP 2894/4885SLC7A5 3289/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 CYP19A1 151/4885RNPEP 3959/4885SLC7A5 3819/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL CYP19A1 1326/4885RNPEP 530/4885SLC7A5 1189/4885

“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.