SCHEMBL4482989

SCHEMBL4482989

CC(=O)OCOC(=O)CC(=O)OCOC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
MGAM O43451 2/20 0.52
SI P14410 2/20 0.52
MGAM2 Q2M2H8 2/20 0.52
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 2/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 4/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39

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
SCHEMBL18736731 1.00 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL19007795 0.90 GAA (0.71) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL13141524 0.89 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL322669 0.87
SCHEMBL4482991 0.87 ALDH1A1 (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18736732 0.84 MGAM (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL15635559 0.82 ALDH1A1 (0.48) GAAALDH1A1HSD17B10LMNATDP1
SCHEMBL17084061 0.82 ALDH1A1 (0.48) GAAALDH1A1HSD17B10LMNATDP1
SCHEMBL14003419 0.82 MGAM (0.60) GAAMGAMSIMGAM2ALDH1A1
Acetic Acid SCHEMBL29011975 0.81 ALDH1A1 (0.53) GAAALDH1A1HSD17B10LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US claimed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US claimed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 EP claimed
CN-114917361-A Antibody Drug Conjugates (ADC) and antibody prodrug conjugates (APDC) with enzyme cleavable groups 拜耳医药股份有限公司 2022-08-19 CN disclosed
CN-107635586-B Antibody-drug conjugates (ADC) of KSP inhibitors with aglycosylated anti-TWEAKR antibodies 拜耳医药股份有限公司 2021-09-24 CN disclosed
CN-106163568-B Antibody Drug Conjugates (ADC) containing spindle Kinesin (KSP) 拜耳制药股份公司 2021-03-23 CN disclosed
US-20150368429-A1 POLYESTER MODIFIER COMPOSITION FOR CELLULOSE ESTER RESIN, CELLULOSE ESTER OPTICAL FILM, AND POLARIZING PLATE PROTECTIVE FILM DIC CORPORATION (JP) 2015-12-24 US disclosed
US-7553989-B2 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-30 US disclosed
US-20050272950-A1 Malonic acid monoesters and process for producing the same MEIJI SEIKA KAISHA LTD. (JP) 2005-12-08 US disclosed
EP-1561748-A1 MALONIC ACID MONOESTERS AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-08-10 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 (2 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-20150368429-A1 POLYESTER MODIFIER COMPOSITION FOR CELLULOSE ESTER RESIN, CELLULOSE ESTER OPTICAL FILM, AND POLARIZING PLATE PROTECTIVE FILM GNE, DDOST, COL14A1 GAA 2029/4885MGAM 7/4885SI 1475/4885
US-20050272950-A1 Malonic acid monoesters and process for producing the same ME1, SI, ME3 GAA 12/4885MGAM 4/4885SI 2/4885

“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.