SCHEMBL9067370

SCHEMBL9067370

C=CCOCCOC(=O)CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 2/20 0.35
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CYP3A4 P08684 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL8990268 0.89 TDP1 (0.38) MGAMGAASIMGAM2TDP1
SCHEMBL12722892 0.89 TDP1 (0.38) MGAMGAASIMGAM2TDP1
SCHEMBL12722894 0.88 TSHR (0.40) MGAMGAASIMGAM2TDP1
Propene SCHEMBL22124162 0.82 MGAM (0.48) MGAMGAASIMGAM2TSHR
Propene SCHEMBL22124207 0.82 MGAM (0.48) MGAMGAASIMGAM2TSHR
Propene SCHEMBL2704019 0.82 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL9513 0.82 TSHR (0.50) MGAMGAASIMGAM2TDP1
SCHEMBL11408466 0.82 GAA (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL2704967 0.82 GAA (0.52) MGAMGAASIMGAM2TSHR
SCHEMBL8380310 0.82 GAA (0.52) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4418207-A Acetylacetoxyalkyl-allyl ethers HOECHST AKTIENGESELLSCHAFT (DE) 1983-11-29 US claimed
US-7932312-B2 Organosilicon compound and pressure-sensitive adhesive composition for liquid crystal element containing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20090137710-A1 ORGANOSILICON COMPOUND AND PRESSURE-SENSITIVE ADHESIVE COMPOSITION FOR LIQUID CRYSTAL ELEMENT CONTAINING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-05-28 US disclosed
US-5576406-A ACRYLATE POLYMERS FOR PAINTS, ADHESIVES OR SEALS DAINIPPON INK AND CHEMICALS, INC. (JP) 1996-11-19 US disclosed
EP-0083781-B1 PROCESS FOR THE PREPARATION OF A POLYMER DISPERSION HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-01 EP disclosed
US-4492780-A Process for the preparation of a polymer dispersion HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-08 US disclosed
EP-0022545-B1 VINYL POLYMER WITH ACETYL ACETOXY GROUPS, PROCESS FOR ITS PREPARATION AND DISPERSION OBTAINED THEREFROM HOECHST AKTIENGESELLSCHAFT (DE) 1984-06-13 EP disclosed
EP-0083781-A1 Process for the preparation of a polymer dispersion HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-20 EP disclosed
EP-0022978-B1 ACETYLACETOXYALKYL ALLYL ETHERS, THEIR PREPARATION AND UTILIZATION HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-28 EP disclosed
US-4296226-A Vinyl polymer with acetylacetoxy groups, process for its manufacture and an agent obtained thereof HOECHST AKTIENGESELLSCHAFT (DE) 1981-10-20 US disclosed
EP-0022978-A1 Acetylacetoxyalkyl allyl ethers, their preparation and utilization HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP disclosed
EP-0022545-A1 Vinyl polymer with acetyl acetoxy groups, process for its preparation and dispersion obtained therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-21 EP 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-20090137710-A1 ORGANOSILICON COMPOUND AND PRESSURE-SENSITIVE ADHESIVE COMPOSITION FOR LIQUID CRYSTAL ELEMENT CONTAINING SAME H1-0, JMJD6, PYM1 MGAM 1400/4885GAA 4777/4885SI 1248/4885

“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.