SCHEMBL3683589

SCHEMBL3683589

CCOC(=O)C1C(C=CBr)C1(C)C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
TSHR P16473 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA2A P08913 1/20 0.33
CNR1 P21554 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPA1 O75762 1/20 0.32

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
SCHEMBL3683588 1.00 LMNA (0.65) LMNATSHRTDP1MEN1KMT2A
SCHEMBL2168541 0.84 LMNA (0.67) LMNATSHRTDP1MEN1KMT2A
SCHEMBL2168536 0.84 LMNA (0.67) LMNATSHRTDP1MEN1KMT2A
SCHEMBL29246835 0.84 LMNA (0.67) LMNATSHRTDP1MEN1KMT2A
SCHEMBL2170337 0.84 LMNA (0.67) LMNATSHRTDP1MEN1KMT2A
SCHEMBL9797004 0.82 LMNA (0.65) LMNATSHRTDP1MEN1KMT2A
SCHEMBL9796997 0.82 LMNA (0.65) LMNATSHRTDP1MEN1KMT2A
SCHEMBL11291535 0.81 LMNA (0.69) LMNATSHRTDP1MEN1KMT2A
SCHEMBL1150270 0.81 LMNA (0.69) LMNATSHRTDP1MEN1KMT2A
SCHEMBL10952942 0.81 LMNA (0.69) LMNATSHRTDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1792889-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2015-03-04 EP disclosed
EP-1547995-B1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2014-05-07 EP disclosed
CN-1660764-B Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO 2010-12-08 CN disclosed
US-7741511-B2 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-22 US disclosed
US-7399873-B2 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-07-15 US disclosed
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS SOUDA HIROSHI 2008-02-07 US disclosed
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS SOUDA HIROSHI 2008-01-10 US disclosed
EP-1792889-A2 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2007-06-06 EP disclosed
CN-1660764-A Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL CO (JP) 2005-08-31 CN disclosed
EP-1547995-A1 Process for the preparation of carboxylic acid esters Sumitomo Chemical Company, Limited (JP) 2005-06-29 EP disclosed
US-20050113581-A1 Process for the preparation of carboxylic acid esters SUMITOMO CHEMICAL COMPANY, LIMITED 2005-05-26 US disclosed
US-4529813-A Preparation of 2-halogeno-3-alkylvinylcyclobutan-1-one BAYER AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed
US-4291176-A Production of insecticidally active vinyl-cyclopropane carboxylic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-09-22 US 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-20050113581-A1 Process for the preparation of carboxylic acid esters ACSL6, ALKBH3, ACSL1 LMNA 3667/4885TSHR 1811/4885TDP1 4138/4885
US-20080033194-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 LMNA 3667/4885TSHR 1811/4885TDP1 4138/4885
US-20080009648-A1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS ACSL6, ALKBH3, ACSL1 LMNA 3667/4885TSHR 1811/4885TDP1 4138/4885

“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.