SCHEMBL2621427

SCHEMBL2621427

CC1[C@H](OCCOCCOCCNC(=O)CCOCC(N)(COCCC(=O)NCCOCCOCCO[C@@H]2OC(COC(=O)c3ccccc3)[C@@H](C)[C@H](C)C2C)COCCC(=O)NCCOCCOCCO[C@@H]2OC(COC(=O)c3ccccc3)[C@@H](C)[C@H](C)C2C)OC(COC(=O)c2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ FGF1 P05230 5/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ VEGFA P15692 2/20 0.32
▸ POLB P06746 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ FGF2 P09038 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL9604567 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1FGF1HDAC3HDAC1
SCHEMBL15829781 1.00 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1FGF1HDAC3HDAC1
SCHEMBL17612200 0.86 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1FGF1VEGFAMEN1
SCHEMBL9604566 0.86 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1FGF1VEGFAMEN1
SCHEMBL16299430 0.86 USP2 (0.41) SMN1; SMN2FGF1POLBMEN1USP2
SCHEMBL22448295 0.86 USP2 (0.41) SMN1; SMN2FGF1POLBMEN1USP2
SCHEMBL16357786 0.86 USP2 (0.41) SMN1; SMN2FGF1POLBMEN1USP2
SCHEMBL10177590 0.86 USP2 (0.41) SMN1; SMN2FGF1POLBMEN1USP2
SCHEMBL16299884 0.86 USP2 (0.41) SMN1; SMN2FGF1POLBMEN1USP2
SCHEMBL19772828 0.86 USP2 (0.41) SMN1; SMN2FGF1POLBMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125985-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-05-10 — — US disclosed
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-03-08 — — US disclosed
US-9764036-B2 Lipids and compositions for the delivery of therapeutics ARBUTUS BIOPHARMA CORPORATION (CA) 2017-09-19 — — US disclosed
US-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2016-07-28 — — US disclosed
US-9220683-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2015-12-29 — — US disclosed
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-04-19 — — US disclosed
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 — — 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 (5 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-20180125985-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1515/4885ALDH1A1 3880/4885FGF1 2110/4885
US-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1515/4885ALDH1A1 3880/4885FGF1 2110/4885
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1568/4885ALDH1A1 3847/4885FGF1 2167/4885
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1568/4885ALDH1A1 3847/4885FGF1 2167/4885
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, ABCB4, LCAT SMN1; SMN2 1022/4885ALDH1A1 4201/4885FGF1 2360/4885

“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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