SCHEMBL14068464

SCHEMBL14068464

O=C(OC1CCCC1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.46
CES1 P23141 4/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCHE P06276 1/20 0.43
CHRNA7 P36544 2/20 0.42
MCL1 Q07820 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
POLB P06746 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL28475058 0.98 FABP7 (0.49) CES2CES1FABP7FABP5MEN1
SCHEMBL6649308 0.92 CES2 (0.50) CES2CES1MEN1KMT2ACHRNA7
SCHEMBL3671553 0.92 CES2 (0.50) CES2CES1MEN1KMT2ACHRNA7
SCHEMBL1926317 0.81 MEN1 (0.65) MEN1KMT2ASMN1; SMN2CHRNA7LMNA
SCHEMBL1994114 0.81 FABP7 (0.47) FABP7FABP5MEN1KMT2AFAAH
SCHEMBL28747257 0.81 FABP7 (0.47) FABP7FABP5MEN1KMT2AFAAH
SCHEMBL6649622 0.80 MAPT (0.43) CES2CES1MEN1KMT2ACHRNA7
SCHEMBL13531404 0.80 CYP19A1 (0.42) KMT2ASMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL14720174 0.79 MEN1 (0.63) FABP7FABP5MEN1KMT2ASMN1; SMN2
SCHEMBL60478 0.79 MEN1 (0.63) FABP7FABP5MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149835-B Preparation method for rapidly generating alpha-ketoester by iodine-mediated oxidation of alpha-diazo ester 广西师范大学 2023-05-02 CN disclosed
US-8846954-B2 Crystallisation and purification of glycopyrronium bromide SOSEI R&D LTD. (GB) 2014-09-30 US disclosed
US-8846954-B2 Crystallisation and purification of glycopyrronium bromide SOSEI R&D LTD. (GB) 2014-09-30 US disclosed
US-20080227988-A1 Reaction of glycopyrronium base with methyl bromide in solvent selected such that diastereoisomeric ratio of product favors R, S and S, R diastereoisomers over R, R, and S, S diastereoisomers, and separating desired diastereoisomers by controlled crystallisation steps; narrow particle size distribution HEPTARES THERAPEUTICS LIMITED (GB) 2008-09-18 US disclosed
US-20080227988-A1 Reaction of glycopyrronium base with methyl bromide in solvent selected such that diastereoisomeric ratio of product favors R, S and S, R diastereoisomers over R, R, and S, S diastereoisomers, and separating desired diastereoisomers by controlled crystallisation steps; narrow particle size distribution HEPTARES THERAPEUTICS LIMITED (GB) 2008-09-18 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 (1 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-20080227988-A1 Reaction of glycopyrronium base with methyl bromide in solvent selected such that diastereoisomeric ratio of product favors R, S and S, R diastereoisomers over R, R, and S, S diastereoisomers, and separating desired diastereoisomers by controlled crystallisation steps; narrow particle size distribution TSHR, GYPA, GLRB CES2 3509/4885CES1 2567/4885FABP7 4642/4885

“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.