SCHEMBL12349244

SCHEMBL12349244

OCC(O)CCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.42
KEAP1 Q14145 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7114925 0.84
SCHEMBL734049 0.83 USP2 (0.72) USP2KDM4EALDH1A1GLASMN1; SMN2
SCHEMBL9729323 0.82 USP2 (0.52) USP2KDM4EALDH1A1GLAKEAP1
SCHEMBL15314031 0.82 USP2 (0.52) USP2KDM4EALDH1A1GLAKEAP1
SCHEMBL5980401 0.80 USP2 (0.54) USP2KDM4EALDH1A1GLAKEAP1
SCHEMBL3488699 0.80 MAPT (0.60) ALDH1A1SMN1; SMN2MAPTATMTSHR
SCHEMBL5825218 0.80 USP2 (0.50) USP2KDM4EALDH1A1GLAKEAP1
SCHEMBL24458987 0.78 MAPT (0.58) ALDH1A1SMN1; SMN2MAPTATMTSHR
SCHEMBL25299334 0.78 USP2 (0.52) USP2KDM4EALDH1A1GLAKEAP1
SCHEMBL4388837 0.78 USP2 (0.78) USP2KDM4EALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3721943-A1 LIPIDS, LIPID COMPOSITIONS AND METHODS OF USING THEM Novartis AG (CH) 2020-10-14 EP disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 US disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 US disclosed
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2014-10-16 US disclosed
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2014-10-16 US disclosed
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-08-18 US disclosed
WO-2011076807-A2 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-06-30 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 (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-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC USP2 4382/4885KDM4E 4419/4885ALDH1A1 3626/4885
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC USP2 4382/4885KDM4E 4419/4885ALDH1A1 3626/4885

“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.