SCHEMBL17490501

SCHEMBL17490501

NC(=O)COCC(=O)N1CCOCCOCCOCCN(C(=O)COCC(N)=O)CCOCCOCC1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.79
▸ KDM4E B2RXH2 2/20 0.47
▸ FKBP1A P62942 6/20 0.45
▸ POLB P06746 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 3/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL23153566 0.78 L3MBTL1 (0.71) L3MBTL1FKBP1APOLBALDH1A1TSHR
SCHEMBL12439630 0.78 L3MBTL1 (0.78) L3MBTL1FKBP1APOLBALDH1A1TSHR
SCHEMBL28685062 0.78 L3MBTL1 (0.66) L3MBTL1KDM4EFKBP1APOLBALDH1A1
SCHEMBL24313327 0.78 L3MBTL1 (0.78) L3MBTL1FKBP1APOLBALDH1A1TSHR
SCHEMBL428816 0.78 L3MBTL1 (0.78) L3MBTL1FKBP1APOLBALDH1A1TSHR
SCHEMBL14538081 0.77 L3MBTL1 (0.70) L3MBTL1FKBP1APOLBALDH1A1TSHR
SCHEMBL1726021 0.76 L3MBTL1 (0.68) L3MBTL1FKBP1APOLBALDH1A1TSHR
Hydrochloric Acid SCHEMBL3724641 0.76 L3MBTL1 (0.68) L3MBTL1FKBP1APOLBALDH1A1TSHR
SCHEMBL10786869 0.76 L3MBTL1 (0.68) L3MBTL1FKBP1APOLBALDH1A1TSHR
SCHEMBL9124397 0.75 L3MBTL1 (0.72) L3MBTL1FKBP1APOLBALDH1A1TSHR

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-20160046584-A1 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING ALUMEND, LLC (US) 2016-02-18 — — US disclosed
US-20160030413-A1 METHODS OF ACUTE RESTORATION OF VASCULAR COMPLIANCE ALUMEND, LLC (US) 2016-02-04 — — 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-20160030413-A1 METHODS OF ACUTE RESTORATION OF VASCULAR COMPLIANCE APOB, LIPG, VCAM1 L3MBTL1 3583/4885KDM4E 2677/4885FKBP1A 3892/4885
US-20160046584-A1 COMPOSITIONS AND METHODS OF USING THE COMPOSITIONS FOR PLAQUE SOFTENING APOB, PLG, LIPG L3MBTL1 4709/4885KDM4E 3988/4885FKBP1A 4211/4885

“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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