SCHEMBL4672969

SCHEMBL4672969

CCOC(=O)C(C)OC(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
NAAA Q02083 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1396422 1.00 MGAM (0.42) MGAMGAASIMGAM2SOAT1
SCHEMBL13876099 0.84 MGAM (0.41) MGAMGAASIMGAM2SOAT1
SCHEMBL10087903 0.83 ALDH1A1 (0.44) MGAMGAASIMGAM2SOAT1
SCHEMBL22971403 0.83 CYP1A2 (0.41) MGAMGAASIMGAM2SOAT1
SCHEMBL7814504 0.83 MGAM (0.39) MGAMGAASIMGAM2SOAT1
SCHEMBL18127567 0.83 LMNA (0.52) GAAALDH1A1LMNAKMT2AMEN1
SCHEMBL6900350 0.83 ALDH1A1 (0.44) MGAMGAASIMGAM2SOAT1
SCHEMBL10860443 0.83 ALDH1A1 (0.58) MGAMGAASIMGAM2SOAT1
SCHEMBL10087917 0.83 MMP1 (0.47) MGAMGAASIMGAM2SOAT1
SCHEMBL6898156 0.83 TSHR (0.41) ALDH1A1LMNAL3MBTL1KMT2AMEN1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101838218-A Ester compound and pharmaceutical use of the same JAPAN TOBACCO INC 2010-09-22 CN claimed
CN-1630629-A Ester compound and medical use thereof JAPAN TOBACCO INC (JP) 2005-06-22 CN claimed
US-10710956-B2 Process for the preparation of acrylate esters from alkyl lactates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-07-14 US disclosed
US-20190241495-A1 PROCESS FOR THE PREPARATION OF ACRYLATE ESTERS FROM ALKYL LACTATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-08-08 US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 US disclosed
US-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-11-03 US disclosed
CN-105378045-A 1-isopropoxy-1-oxopropan-2-yl pivalate as perfuming ingredient FIRMENICH & CIE 2016-03-02 CN disclosed
US-20160009713-A1 Prodrugs of Heteraromatic Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2016-01-14 US disclosed
US-8431576-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2013-04-30 US disclosed
CN-101838218-A Ester compound and pharmaceutical use of the same JAPAN TOBACCO INC 2010-09-22 CN disclosed
CN-1630629-B Ester compound and medical use thereof JAPAN TOBACCO INC 2010-05-05 CN disclosed
EP-1122244-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2004-09-29 EP disclosed
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients SUMITOMO CHEMICAL COMPANY, LIMITED 2003-11-20 US disclosed
US-6586368-B1 Benzofuran derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-01 US disclosed
US-6537948-B1 Have a wide range of herbicidal spectrum, and causes no phytotoxicity on crops SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-25 US disclosed
US-6410484-B1 ACTIVE MATERIAL; CONTROLLING WEEDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-25 US disclosed
US-6339155-B1 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-15 US disclosed
EP-1122244-A1 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-08 EP disclosed
EP-1101761-A2 Process for producing 3-phenyluracil compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-23 EP disclosed
EP-1095935-A1 6-Hydroxy-5,6-dihydrouracils as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-05-02 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 (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-20160318869-A1 Heterocyclic Compounds for the Treatment of Neurological and Psychological Disorders GABBR1, GABBR2, GABRE MGAM 2555/4885GAA 947/4885SI 881/4885
US-20190241495-A1 PROCESS FOR THE PREPARATION OF ACRYLATE ESTERS FROM ALKYL LACTATES LDHA, LDHB, PDK4 MGAM 189/4885GAA 342/4885SI 665/4885
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L MGAM 308/4885GAA 794/4885SI 356/4885
US-10710956-B2 Process for the preparation of acrylate esters from alkyl lactates LDHA, LDHB, PDK4 MGAM 189/4885GAA 342/4885SI 665/4885
US-20030216258-A1 Condensed heterocylic compounds and herbicides containing them as active ingredients CBR3, CBR1, HAAO MGAM 2073/4885GAA 3021/4885SI 3331/4885
US-20160009713-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 MGAM 2574/4885GAA 1176/4885SI 639/4885

“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.