SCHEMBL4444111

SCHEMBL4444111

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PRKCA P17252 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL14991484 0.81 ALDH1A1 (0.41) TSHRSMN1; SMN2PRKCAALDH1A1
SCHEMBL16480677 0.79 ALOX15 (0.36) TSHRSMN1; SMN2PRKCAALDH1A1
SCHEMBL6783950 0.79 TDP1 (0.45) TSHRSMN1; SMN2ALDH1A1
SCHEMBL6719953 0.79 TSHR (0.33) TSHRSMN1; SMN2PRKCAALDH1A1
SCHEMBL4444114 0.79 TSHR (0.33) TSHRSMN1; SMN2PRKCAALDH1A1
SCHEMBL25747604 0.79 TDP1 (0.45) TSHRSMN1; SMN2ALDH1A1
SCHEMBL15837553 0.79 TDP1 (0.45) TSHRSMN1; SMN2ALDH1A1
SCHEMBL588762 0.78
SCHEMBL23221980 0.77 TSHR (0.32) TSHRSMN1; SMN2ALDH1A1
SCHEMBL6783944 0.77 TSHR (0.37) TSHRSMN1; SMN2

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 25 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
US-5843983-A Diphenylethane compounds containing a saturated heterocyclic group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1998-12-01 US 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 TSHR 249/4885SMN1; SMN2 4833/4885PRKCA 2906/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 TSHR 1506/4885SMN1; SMN2 2152/4885PRKCA 4644/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL TSHR 1758/4885SMN1; SMN2 4705/4885PRKCA 592/4885

“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.