SCHEMBL4247077

SCHEMBL4247077

Cc1ccc(C[Mg]Cl)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 1/20 0.36
TNF P01375 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
NPC1 O15118 1/20 0.36
NR3C1 P04150 1/20 0.34

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
SCHEMBL4242001 0.83 TAAR1 (0.50) ALDH1A1KDM4ETDP1TP53TAAR1
SCHEMBL11853446 0.76 TAAR1 (0.42) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL96223 0.75 KMT2A (0.46) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL30613070 0.75 KMT2A (0.46) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL10317682 0.74 RAPGEF4 (0.31)
SCHEMBL3299248 0.74 PYCR1 (0.47) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL6547406 0.74 TAAR1 (0.48) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL809287 0.73 TAAR1 (0.46) ALDH1A1KDM4ETAAR1KMT2ALMNA
SCHEMBL168406 0.72 PYCR1 (0.46) PYCR1ALDH1A1KDM4ETDP1TP53
SCHEMBL5350848 0.72 PYCR1 (0.46) PYCR1ALDH1A1KDM4ETDP1TP53

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
EP-2484685-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND Sumitomo Chemical Co., Ltd (JP) 2012-08-08 EP disclosed
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US disclosed
US-7622604-B2 via grignard intermediate such as benzylmagnesium chloride and esterification with succinic anhydride; inflammatory and cardiovascular diseases; optimizes the amount of monoester in the final product mixture and minimizes the amount of reagents; e.g. synthesis of succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2009-11-24 US disclosed
US-20080009642-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof CRABTREE ACQUISITION CO, LLC 2008-01-10 US disclosed
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US disclosed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP disclosed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP disclosed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US disclosed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 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 (6 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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 PYCR1 757/4885ALDH1A1 1321/4885KDM4E 3584/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 PYCR1 1480/4885ALDH1A1 2292/4885KDM4E 3841/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 PYCR1 896/4885ALDH1A1 2399/4885KDM4E 4436/4885
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND EMC1, CYC1, AP1M1 PYCR1 459/4885ALDH1A1 2139/4885KDM4E 3760/4885
US-20080009642-A1 Process of Preparing Esters and Ethers of Probucol and Derivatives Thereof NR3C2, MGLL, GCG PYCR1 2494/4885ALDH1A1 2574/4885KDM4E 3513/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG PYCR1 2494/4885ALDH1A1 2574/4885KDM4E 3513/4885

“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.