Sugi Predict

Sugi Predict / Compounds / SCHEMBL12349246

SCHEMBL12349246

SCHEMBL12349246

CC1(C)OCC(CCN2CCOCC2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ CA2 P00918 2/20 0.37
▸ TMEM97 Q5BJF2 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP2D6 P10635 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HTR2C P28335 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HTR7 P34969 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PAOX Q6QHF9 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL3488211 0.86 CA2 (0.39) GAACA2TMEM97SIGMAR1ALDH1A1
SCHEMBL10809019 0.83 GAA (0.64) GAACA2TMEM97SIGMAR1ALDH1A1
SCHEMBL7154999 0.75 CA2 (0.50) CA2TMEM97SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL18817541 0.75 CA2 (0.50) CA2TMEM97SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL16392450 0.74 KDM4E (0.45) GAACA2SIGMAR1ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL8973642 0.72 GLA (0.44) GAACA2SIGMAR1ALDH1A1KEAP1
SCHEMBL3488676 0.72 CA2 (0.37) CA2TMEM97SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL27299641 0.72 CA2 (0.34) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL25868569 0.72 ALDH1A1 (0.40) CA2TMEM97SIGMAR1ALDH1A1KDM4E
SCHEMBL13130046 0.72 CA2 (0.47) CA2TMEM97SIGMAR1ALDH1A1SMN1; SMN2

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-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 GAA 1237/4885CA2 2070/4885TMEM97 806/4885
US-20140309277-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC GAA 1237/4885CA2 2070/4885TMEM97 806/4885

“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.