SCHEMBL20008742

SCHEMBL20008742

O=C(CCCC(=O)ON1C(=O)CCC1=O)NCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TSHR P16473 2/20 0.38
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA4 P22748 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA14 Q9ULX7 4/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL19732579 0.94 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL20365824 0.94 SMN1; SMN2 (0.46) SMN1; SMN2HPGDHTTTSHRL3MBTL1
SCHEMBL19732577 0.92 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL21767237 0.92 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL17885923 0.92 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL16234542 0.92 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL17773347 0.92 SMN1; SMN2 (0.47) SMN1; SMN2HPGDHTTTSHRALDH1A1
SCHEMBL16574886 0.91 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHTTTSHRCA12
SCHEMBL19726654 0.90 HPGD (0.44) SMN1; SMN2HPGDHTTTSHRPOLB
SCHEMBL19658311 0.90 SMN1; SMN2 (0.43) SMN1; SMN2HPGDHTTCA12CA1

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-10335406-B2 Opioid compositions resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2019-07-02 — — US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 — — US disclosed
US-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 — — 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 SMN1; SMN2 1281/4885HPGD 1106/4885HTT 2034/4885
US-10335406-B2 Opioid compositions resistant to overdose and abuse OPRM1, OPRK1, OPRD1 SMN1; SMN2 1281/4885HPGD 1106/4885HTT 2034/4885

“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.

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