SCHEMBL4444114

SCHEMBL4444114

CC(C)C(C)COC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
SLC7A5 Q01650 1/20 0.31
PRKCA P17252 1/20 0.31
TP53 P04637 1/20 0.30
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
SCHEMBL9706006 0.89 TSHR (0.36) TSHRTP53ALDH1A1
SCHEMBL2730271 0.82 TP53 (0.35) TSHRTP53
SCHEMBL14991484 0.81 ALDH1A1 (0.41) TSHRSMN1; SMN2PRKCAALDH1A1
SCHEMBL1664344 0.80 PGD (0.33)
SCHEMBL4444111 0.79 TSHR (0.33) TSHRSMN1; SMN2PRKCAALDH1A1
SCHEMBL6783950 0.79 TDP1 (0.45) TSHRSMN1; SMN2TP53ALDH1A1
SCHEMBL25747604 0.79 TDP1 (0.45) TSHRSMN1; SMN2TP53ALDH1A1
SCHEMBL6719953 0.79 TSHR (0.33) TSHRSMN1; SMN2PRKCAALDH1A1
SCHEMBL15837553 0.79 TDP1 (0.45) TSHRSMN1; SMN2TP53ALDH1A1
SCHEMBL16480677 0.79 ALOX15 (0.36) TSHRSMN1; SMN2PRKCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200203762-A1 Polymer Electrolyte for Secondary Battery and Lithium Secondary Battery Including the Same LG CHEM, LTD. (KR) 2020-06-25 US 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
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-0625975-A1 CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING THEM AND THEIR USE AS HERBICIDES. BASF AG (DE) 1994-11-30 EP disclosed
EP-0625974-A1 MIXTURES OF OPTICALLY ACTIVE CYCLOHEXENONE OXIME ETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PRODUCTION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (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-1993016062-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-1993016063-A1 CYCLOHEXENONE OXIME ETHERS, PROCESS FOR MAKING 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 TSHR 249/4885SMN1; SMN2 4833/4885MMP1 3590/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 TSHR 1506/4885SMN1; SMN2 2152/4885MMP1 3653/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL TSHR 1758/4885SMN1; SMN2 4705/4885MMP1 1918/4885

“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.