SCHEMBL15829779

SCHEMBL15829779

CC1[C@H](C)C(COC(=O)c2ccccc2)O[C@H](OCCOCCOCCN=[N+]=[N-])[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABCG2 Q9UNQ0 4/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LGALS3 P17931 1/20 0.33
▸ SYNJ2 O15056 3/20 0.33
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL14725535 1.00 ALDH1A1 (0.38) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL16299766 1.00 ALDH1A1 (0.38) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL19772808 0.89 PTPN1 (0.39) ALDH1A1POLBMAPK1PTPN1MEN1
SCHEMBL16299814 0.89 USP2 (0.42) ALDH1A1POLBMAPK1PTPN1MEN1
SCHEMBL2621420 0.86 LMNA (0.47) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL26167583 0.86 LMNA (0.47) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL9604620 0.85 ALDH1A1 (0.41) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL15829780 0.85 ALDH1A1 (0.41) ALDH1A1LMNAPOLBGAAMAPK1
SCHEMBL14978164 0.83 PTPN1 (0.44) POLBMAPK1PTPN1MEN1USP2
SCHEMBL20730008 0.83 PTPN1 (0.44) POLBMAPK1PTPN1MEN1USP2

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-9814777-B2 Targeting lipids ARBUTUS BIOPHARMA CORPORATION (CA) 2017-11-14 — — US disclosed
US-20160375137-A9 TARGETING LIPIDS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2016-12-29 — — US disclosed
US-20140179761-A1 TARGETING LIPIDS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2014-06-26 — — 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-20140179761-A1 TARGETING LIPIDS LY96, ABHD10, APOB ALDH1A1 1600/4885LMNA 169/4885POLB 450/4885
US-20160375137-A9 TARGETING LIPIDS LY96, ABHD10, APOB ALDH1A1 1600/4885LMNA 169/4885POLB 450/4885

“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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