SCHEMBL4450340

SCHEMBL4450340

CCC(C)C(C)OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
MME P08473 2/20 0.35
ACE P12821 2/20 0.35
CPA1 P15085 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
FFAR3 O14843 1/20 0.30
LMNA P02545 2/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL14991049 0.82 ALDH1A1 (0.33) ALDH1A1MMEACECPA1ACE2
SCHEMBL6789651 0.80 TSHR (0.48) ALDH1A1MAPTTSHRLMNA
SCHEMBL4450335 0.80 ALDH1A1 (0.32) ALDH1A1MMEACECPA1ACE2
SCHEMBL13448612 0.78 ALDH1A1 (0.31) ALDH1A1MMEACECPA1ACE2
SCHEMBL14245160 0.78 ALDH1A1 (0.31) ALDH1A1MMEACECPA1ACE2
SCHEMBL225284 0.78 MAPT (0.32) ALDH1A1MMEACECPA1ACE2
SCHEMBL15509330 0.78 TSHR (0.35) TSHR
SCHEMBL6789645 0.78 ALDH1A1 (0.31) ALDH1A1MMEACECPA1ACE2
SCHEMBL6724825 0.78 MAPT (0.32) ALDH1A1MMEACECPA1ACE2
SCHEMBL6790093 0.78 ESR1 (0.37) ALDH1A1MMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118156613-A Electrolyte additive for lithium ion or sodium ion secondary battery and application thereof 北京大学深圳研究生院 2024-06-07 CN disclosed
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
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 ALDH1A1 2052/4885MME 3800/4885ACE 1367/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 ALDH1A1 709/4885MME 4826/4885ACE 3076/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL ALDH1A1 1278/4885MME 1987/4885ACE 385/4885

“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.