SCHEMBL19359802

SCHEMBL19359802

CCCCCCCOC(=O)OC(C)CC

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.50
EPHX1 P07099 1/20 0.47
TSHR P16473 3/20 0.46
HCAR2 Q8TDS4 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.43
FAAH O00519 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 4/20 0.42

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
SCHEMBL1217726 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL20381900 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL2989669 0.98 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL4438814 0.98 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL1217435 0.98 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL2976445 0.92 ALDH1A1 (0.48) NAAAEPHX1TSHRHCAR2LMNA
SCHEMBL2988638 0.92 ALDH1A1 (0.48) NAAAEPHX1TSHRHCAR2LMNA
SCHEMBL4924002 0.92 ALDH1A1 (0.48) NAAAEPHX1TSHRHCAR2LMNA
SCHEMBL18558930 0.87 FAAH (0.57) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL20834443 0.87 FAAH (0.53) NAAAEPHX1TSHRHCAR2RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011569-B2 Process for synthesizing oxidized lactam compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-03 US disclosed
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-06-14 US disclosed
US-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2017-09-21 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 (3 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-20170267639-A1 Process for Synthesizing Oxidized Lactam Compounds COASY, DHPS, OXA1L NAAA 1441/4885EPHX1 800/4885TSHR 4488/4885
US-10011569-B2 Process for synthesizing oxidized lactam compounds COASY, DHPS, OXA1L NAAA 1441/4885EPHX1 800/4885TSHR 4488/4885
US-20180162816-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE NAAA 1737/4885EPHX1 2167/4885TSHR 1280/4885

“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.