SCHEMBL4444271

SCHEMBL4444271

CCC(C)(C)COC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SERPINE1 P05121 1/20 0.34
CTSK P43235 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FFAR3 O14843 1/20 0.30
KDM4E B2RXH2 1/20 0.30
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL1127434 0.87 SERPINE1 (0.42) LMNAHSD17B10SERPINE1ALDH1A1KDM4E
SCHEMBL14991075 0.82 ALDH1A1 (0.46) LMNAHSD17B10SERPINE1CTSKALDH1A1
SCHEMBL4444268 0.80 LMNA (0.34) LMNAHSD17B10SERPINE1CTSKALDH1A1
SCHEMBL2721208 0.80 SERPINE1 (0.34) LMNAHSD17B10SERPINE1ALDH1A1KDM4E
SCHEMBL6790182 0.80 ALDH1A1 (0.48) LMNAHSD17B10SERPINE1CTSKALDH1A1
SCHEMBL222663 0.78 SERPINE1 (0.33) LMNAHSD17B10SERPINE1CTSKALDH1A1
SCHEMBL13686650 0.78 PRKCA (0.39) LMNAHSD17B10SERPINE1CTSKALDH1A1
SCHEMBL6721894 0.78 SERPINE1 (0.33) LMNAHSD17B10SERPINE1CTSKALDH1A1
SCHEMBL6790179 0.78 SERPINE1 (0.33) LMNAHSD17B10SERPINE1CTSKALDH1A1
SCHEMBL6789266 0.78 NAAA (0.40) LMNAHSD17B10SERPINE1CTSKALDH1A1

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 41 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-1996010561-A1 2-AROYLCYCLOHEXANDIONES, PROCESS FOR PREPARING THE SAME AND THEIR USE AS HERBICIDES OR PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed
EP-0609259-B1 CYCLOHEXENONE DERIVATES USED AS HERBICIDES BASF AG (DE) 1995-11-22 EP disclosed
EP-0680949-A2 O-(oxyimino)ethyl-cyclohexenone oximethers and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-11-08 EP disclosed
EP-0666254-A1 2-Aroylcydohexanediones, process for their preparation and their use as herbicide or as plant growth regulating agent BASF AKTIENGESELLSCHAFT (DE) 1995-08-09 EP disclosed
EP-0625976-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES. BASF AG (DE) 1994-11-30 EP 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-1994004489-A1 CYCLOHEXENONOXIME ETHERS, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1994-03-03 WO disclosed
WO-1993016061-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed
WO-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO 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 LMNA 4780/4885HSD17B10 385/4885SERPINE1 4746/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 LMNA 3553/4885HSD17B10 1676/4885SERPINE1 4187/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL LMNA 2123/4885HSD17B10 486/4885SERPINE1 1462/4885

“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.