SCHEMBL2621431

SCHEMBL2621431

CC1[C@@H](OCCOCCOCCNC(=O)C(F)(F)F)OC(COC(=O)c2ccccc2)[C@@H](C)[C@@H]1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ USP2 O75604 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ SLC6A3 Q01959 2/20 0.32
▸ CYP2D6 P10635 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADORA3 P0DMS8 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
SCHEMBL18683463 0.84 PTPN1 (0.45) SMN1; SMN2USP2POLBMEN1KMT2A
SCHEMBL18683569 0.84 PTPN1 (0.45) SMN1; SMN2USP2POLBMEN1KMT2A
SCHEMBL2621420 0.83 LMNA (0.47) ALDH1A1USP2POLBMEN1KMT2A
SCHEMBL26167583 0.83 LMNA (0.47) ALDH1A1USP2POLBMEN1KMT2A
SCHEMBL15829781 0.83 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1USP2POLBMEN1
SCHEMBL2621427 0.83 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1USP2POLBMEN1
SCHEMBL9604567 0.83 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1USP2POLBMEN1
SCHEMBL9604620 0.82 ALDH1A1 (0.41) ALDH1A1USP2POLBMEN1KMT2A
SCHEMBL15829780 0.82 ALDH1A1 (0.41) ALDH1A1USP2POLBMEN1KMT2A
SCHEMBL15829799 0.80 EPHX1 (0.35) SMN1; SMN2ALDH1A1POLBMEN1KMT2A

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 3880/4885USP2 2187/4885
US-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1515/4885ALDH1A1 3880/4885USP2 2187/4885
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1568/4885ALDH1A1 3847/4885USP2 2206/4885
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1568/4885ALDH1A1 3847/4885USP2 2206/4885
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, ABCB4, LCAT SMN1; SMN2 1022/4885ALDH1A1 4201/4885USP2 2288/4885

“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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