SCHEMBL11668486

SCHEMBL11668486

CCOC(=O)C(C)CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 3/20 0.38
ALOX15 P16050 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTT P42858 2/20 0.35
TRPA1 O75762 1/20 0.34
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL31462139 0.84 CHRNB2 (0.37) ALDH1A1HSD17B10CHRM1
SCHEMBL16599080 0.79 CYP3A4 (0.39) ALDH1A1LMNACYP3A4HSD17B10CYP2C19
SCHEMBL29531381 0.79 SMN1; SMN2 (0.39) ALDH1A1HSD17B10GAACA12CA1
SCHEMBL29531261 0.79 SMN1; SMN2 (0.39) ALDH1A1HSD17B10GAACA12CA1
SCHEMBL7136164 0.79 SMN1; SMN2 (0.39) ALDH1A1HSD17B10GAACA12CA1
SCHEMBL11695403 0.78 CHRM1 (0.52) ALDH1A1LMNACYP3A4CYP2C19GAA
SCHEMBL3910323 0.76 RAB9A (0.39) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL31352637 0.75 ALDH1A1 (0.48) ALDH1A1LMNACYP3A4HSD17B10CYP2C19
SCHEMBL280605 0.75
SCHEMBL118486 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196979-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2017-07-13 US disclosed
US-20170196979-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2017-07-13 US disclosed
US-9504747-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2016-11-29 US disclosed
US-9504747-B2 Lipids and lipid compositions for the delivery of active agents NOVARTIS AG (CH) 2016-11-29 US disclosed
US-20160106842-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-04-21 US disclosed
US-20160106842-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-04-21 US disclosed
US-20140303232-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2014-10-09 US disclosed
US-20140303232-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS NOVARTIS AG (CH) 2014-10-09 US disclosed
US-4012445-A Beta-amino carbonyl catalysts for polyurethane preparation UNION CARBIDE CORPORATION (US) 1977-03-15 US disclosed
US-4011223-A POLYMERIZATION CATALYSTS, POLYURETHANES UNION CARBIDE CORPORATION (US) 1977-03-08 US disclosed
US-3954749-A MORPHOLINE DERIVATIVES OF AMIDES UNION CARBIDE CORPORATION (US) 1976-05-04 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 (3 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-20160106842-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, LPAR1, LPAR4 ALDH1A1 2488/4885LMNA 679/4885CYP3A4 2978/4885
US-20140303232-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, LPAR1, LPAR4 ALDH1A1 2488/4885LMNA 679/4885CYP3A4 2978/4885
US-20170196979-A1 LIPIDS AND LIPID COMPOSITIONS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, LPAR1, LPAR4 ALDH1A1 2488/4885LMNA 679/4885CYP3A4 2978/4885

“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.