SCHEMBL4288211

SCHEMBL4288211

CCC(C)CCCCOC(=O)CCCCC(C)CC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MAPT P10636 1/20 0.43
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.41
PLA2G2A P14555 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.39
LMNA P02545 3/20 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
SCHEMBL4287858 0.98 DGKA (0.53) DGKACYP3A4TSHRATMTDP1
SCHEMBL2341571 0.98 DGKA (0.53) DGKACYP3A4TSHRATMTDP1
SCHEMBL18854085 0.98 DGKA (0.53) DGKACYP3A4TSHRATMTDP1
SCHEMBL346332 0.93 DGKA (0.62) DGKACYP3A4TSHRATMTDP1
SCHEMBL347112 0.93 DGKA (0.62) DGKACYP3A4TSHRATMTDP1
SCHEMBL23804128 0.93 DGKA (0.62) DGKACYP3A4TSHRATMTDP1
SCHEMBL347708 0.93 DGKA (0.62) DGKACYP3A4TSHRATMTDP1
SCHEMBL347196 0.93 DGKA (0.62) DGKACYP3A4TSHRATMTDP1
SCHEMBL345738 0.93 DGKA (0.62) DGKACYP3A4TSHRATMTDP1
SCHEMBL347146 0.93 DGKA (0.62) DGKACYP3A4TSHRATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1445/4885CYP3A4 472/4885TSHR 4195/4885
US-20090170942-A1 ESTER DERIVATIVE AND USE THEREOF MEP1A, CES2, F8 DGKA 2157/4885CYP3A4 502/4885TSHR 4229/4885

“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.