SCHEMBL4285860

SCHEMBL4285860

CC(C)CCCOC(=O)CCCC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.47
PTPN1 P18031 2/20 0.41
MAPT P10636 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
DNM1 Q05193 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
BLM P54132 1/20 0.39
CYP19A1 P11511 1/20 0.39
CA1 P00915 2/20 0.38
HTR2C P28335 1/20 0.38
NAAA Q02083 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP1A2 P05177 1/20 0.38
RARB P10826 1/20 0.37

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
SCHEMBL322130 0.96 DGKA (0.52) DGKAMAPTADRA2AADRA1ATDP1
SCHEMBL491459 0.96 DGKA (0.47) DGKAPTPN1MAPTADRA2AADRA1A
SCHEMBL28453405 0.94 DGKA (0.45) DGKAPTPN1MAPTADRA2AADRA1A
SCHEMBL494740 0.94 DGKA (0.55) DGKAMAPTTDP1DNM1CYP3A4
SCHEMBL494925 0.94 DGKA (0.55) DGKAMAPTTDP1DNM1CYP3A4
SCHEMBL495158 0.94 DGKA (0.55) DGKAMAPTTDP1DNM1CYP3A4
SCHEMBL495029 0.94 DGKA (0.55) DGKAMAPTTDP1DNM1CYP3A4
SCHEMBL495327 0.94 DGKA (0.55) DGKAMAPTTDP1DNM1CYP3A4
SCHEMBL19899172 0.94 DGKA (0.55) DGKAMAPTTDP1DNM1CYP3A4
SCHEMBL495263 0.94 DGKA (0.55) DGKAMAPTTDP1DNM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111647975-A Novel spandex oil agent and spandex obtained through treatment of novel spandex oil agent 烟台锐泽化学品有限公司 2020-09-11 CN disclosed
US-8765809-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2014-07-01 US disclosed
US-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO., INC. (JP) 2013-02-28 US disclosed
US-8212068-B2 Ester derivative and use thereof AJINOMOTO CO., INC. (JP) 2012-07-03 US disclosed
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
WO-2008023338-A1 PRODUCTION OF ESTERS SASOL TECHNOLOGY (PROPRIETARY) LIMITED (ZA) 2008-02-28 WO 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-20130053441-A1 NOVEL ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, MEP1B DGKA 1445/4885PTPN1 3682/4885MAPT 4364/4885
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, F8 DGKA 2157/4885PTPN1 3511/4885MAPT 4201/4885

“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.