SCHEMBL10087809

SCHEMBL10087809

CCCCCCCCCCCCCCCCOC(=O)OC(C)C(C)C

nearest known ligand 0.50

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 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ACHE P22303 5/20 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
SCHEMBL10087807 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10087808 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10087810 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL6896889 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10087806 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10087811 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL10087805 1.00 NAAA (0.50) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL19359972 0.98 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL6896550 0.98 NAAA (0.47) NAAAEPHX1TSHRHCAR2RAD52
SCHEMBL18069590 0.92 ALDH1A1 (0.48) NAAAEPHX1TSHRHCAR2LMNA

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-9107911-B2 Prodrugs of heteraromatic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2015-08-18 US disclosed
US-20120015866-A1 Prodrugs of Heteraromatic Compounds ALKERMES, INC. (US) 2012-01-19 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-20120015866-A1 Prodrugs of Heteraromatic Compounds CYP2D6, CYP2B6, CYP3A4 NAAA 1081/4885EPHX1 135/4885TSHR 3744/4885

“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.