SCHEMBL131871

SCHEMBL131871

CN(C(=O)OCc1ccccc1)[C@@H]1CC[C@@H](O)[C@@H](O)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
CCR5 P51681 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
ENPP2 Q13822 1/20 0.41
ABCB1 P08183 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2621305 1.00 SIGMAR1 (0.52) SIGMAR1CCR5TRPM8ALDH1A1CYP3A4
SCHEMBL2621307 1.00 SIGMAR1 (0.52) SIGMAR1CCR5TRPM8ALDH1A1CYP3A4
SCHEMBL19139368 0.92 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1CYP3A4TSHR
SCHEMBL129763 0.92 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1CYP3A4TSHR
SCHEMBL2621386 0.92 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1CYP3A4TSHR
SCHEMBL2621297 0.92 SIGMAR1 (0.53) SIGMAR1CCR5ALDH1A1CYP3A4TSHR
SCHEMBL1058888 0.87 SIGMAR1 (0.60) SIGMAR1CCR5ALDH1A1TSHRENPP2
SCHEMBL4803972 0.85 SIGMAR1 (0.55) SIGMAR1CCR5ALDH1A1ENPP2ABCB1
SCHEMBL4803965 0.85 SIGMAR1 (0.55) SIGMAR1CCR5ALDH1A1ENPP2ABCB1
SCHEMBL4805754 0.85 SIGMAR1 (0.55) SIGMAR1CCR5ALDH1A1ENPP2ABCB1

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 19 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
EP-2355658-B1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORP (CA) 2017-09-27 EP disclosed
US-9764036-B2 Lipids and compositions for the delivery of therapeutics ARBUTUS BIOPHARMA CORPORATION (CA) 2017-09-19 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-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-9220683-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2015-12-29 US disclosed
US-8722082-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2014-05-13 US disclosed
US-8722082-B2 Lipids and compositions for the delivery of therapeutics TEKMIRA PHARMACEUTICALS CORPORATION (CA) 2014-05-13 US disclosed
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-04-19 US disclosed
US-20120058144-A1 LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-08 US disclosed
US-20120058144-A1 LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-08 US disclosed
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2010054406-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed
WO-2010054384-A1 LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ALNYLAM PHARMACEUTICALS, INC. (US) 2010-05-14 WO 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 (6 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 SIGMAR1 2646/4885CCR5 414/4885TRPM8 4521/4885
US-20160213785-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SIGMAR1 2646/4885CCR5 414/4885TRPM8 4521/4885
US-20120058144-A1 LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ABCB4, CETP, SGMS1 SIGMAR1 2178/4885CCR5 406/4885TRPM8 4678/4885
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SIGMAR1 2708/4885CCR5 457/4885TRPM8 4560/4885
US-20120095075-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SIGMAR1 2708/4885CCR5 457/4885TRPM8 4560/4885
US-20120027796-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, ABCB4, LCAT SIGMAR1 2216/4885CCR5 798/4885TRPM8 4813/4885

“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.