SCHEMBL4855892

SCHEMBL4855892

[CH2]CCCOC(=O)OCCCCCCCCCC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
TSHR P16473 3/20 0.55
EPHX1 P07099 1/20 0.52
HCAR2 Q8TDS4 1/20 0.47
RAD52 P43351 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
FAAH O00519 1/20 0.46
LMNA P02545 1/20 0.46
ACHE P22303 6/20 0.46
DGKA P23743 1/20 0.45
HTR2C P28335 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
SCHEMBL4852353 1.00 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL4856826 1.00 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL4848050 1.00 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL4853689 0.98 NAAA (0.52) NAAATSHREPHX1HCAR2RAD52
SCHEMBL9839017 0.94 ALDH1A1 (0.52) NAAATSHREPHX1HCAR2RAD52
SCHEMBL1558367 0.92 NAAA (0.55) NAAATSHREPHX1HCAR2RAD52
SCHEMBL2908555 0.91 ALDH1A1 (0.54) NAAATSHREPHX1HCAR2ALDH1A1
SCHEMBL4034966 0.89 NAAA (0.52) NAAATSHREPHX1HCAR2RAD52
SCHEMBL119774 0.89 NAAA (0.67) NAAATSHREPHX1HCAR2RAD52
SCHEMBL1839798 0.89 NAAA (0.67) NAAATSHREPHX1HCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378548-B2 Tertiary amine compounds having an ester structure and processes for preparing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-05-27 US claimed
US-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same SHIN-ETSU CHEMICAL CO., LTD. 2006-09-28 US claimed
US-7378548-B2 Tertiary amine compounds having an ester structure and processes for preparing the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1253138-B1 Novel tertiary amine compounds having an ester structure and processes for preparing same SHINETSU CHEMICAL CO (JP) 2007-06-27 EP disclosed
US-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same SHIN-ETSU CHEMICAL CO., LTD. 2006-09-28 US disclosed
US-7084303-B2 Tertiary amine compounds having an ester structure and processes for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-08-01 US disclosed
US-20020193622-A1 Novel tertiary amine compounds having an ester structure and processes for preparing same SHIN-ETSU CHEMICAL CO., LTD. 2002-12-19 US disclosed
EP-1253138-A2 Novel tertiary amine compounds having an ester structure and processes for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-10-30 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-20020193622-A1 Novel tertiary amine compounds having an ester structure and processes for preparing same PHOSPHO1, NAAA, DDAH1 NAAA 2/4885TSHR 3525/4885EPHX1 15/4885
US-20060217570-A1 Novel Tertiary Amine Compounds Having An Ester Structure And Processes For Preparing The Same HRH3, HRH4, HRH2 NAAA 5/4885TSHR 2088/4885EPHX1 45/4885

“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.