SCHEMBL3764429

SCHEMBL3764429

NCCCCCCOC(=O)CCCCCCC(=O)OCCCCCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.54
CYP1A2 P05177 1/20 0.54
HTR2C P28335 1/20 0.52
ALDH1A1 P00352 3/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 1/20 0.50
PLG P00747 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
SLC6A2 P23975 1/20 0.50
RECQL P46063 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
PAOX Q6QHF9 1/20 0.48
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46
BLM P54132 1/20 0.44

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
SCHEMBL11847129 1.00 DGKA (0.54) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL11853523 1.00 DGKA (0.54) DGKACYP1A2HTR2CALDH1A1THRB
Hydrochloric Acid SCHEMBL11847579 0.98 DGKA (0.52) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL11859829 0.95 CYP1A2 (0.54) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL13088732 0.94 PRSS1 (0.50) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL23572763 0.93 DGKA (0.61) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL20824974 0.93 CYP1A2 (0.61) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL15028624 0.92 DGKA (0.47) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL13258632 0.92 LMNA (0.65) DGKACYP1A2HTR2CALDH1A1THRB
SCHEMBL14365471 0.92 DGKA (0.47) DGKACYP1A2HTR2CALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455413-B2 Additive for oils and lubricant comprising the same KH NEOCHEM CO., LTD. (JP) 2013-06-04 US disclosed
US-20100298183-A1 ADDITIVE FOR OILS AND LUBRICANT COMPRISING THE SAME KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2010-11-25 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 (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-20100298183-A1 ADDITIVE FOR OILS AND LUBRICANT COMPRISING THE SAME NCOA2, NCOR2, NR1H2 DGKA 3161/4885CYP1A2 162/4885HTR2C 612/4885

“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.