SCHEMBL764356

SCHEMBL764356

C[C@@H](O)CCCCn1c2ccccc2c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.54
FABP5 Q01469 2/20 0.54
SIGMAR1 Q99720 2/20 0.53
GRIN1 Q05586 7/20 0.50
GRIN2A Q12879 7/20 0.50
GRIN2B Q13224 7/20 0.50
MAOA P21397 7/20 0.50
MAOB P27338 7/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
BACE1 P56817 2/20 0.50
ACHE P22303 2/20 0.50

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
SCHEMBL765479 0.91 SLC6A4 (0.56) FABP4FABP5SIGMAR1HDAC1HDAC6
SCHEMBL15423267 0.86 SIGMAR1 (0.55) FABP4FABP5SIGMAR1GRIN1GRIN2A
SCHEMBL24701467 0.83 SIGMAR1 (0.53) FABP4FABP5SIGMAR1GRIN1GRIN2A
SCHEMBL4552481 0.81 FABP4 (0.68) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL20763507 0.79 SIGMAR1 (0.53) FABP4FABP5SIGMAR1GRIN1GRIN2A
SCHEMBL5181736 0.79 MAOA (0.69) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL5658338 0.79 MAOA (0.69) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL10063551 0.79 MAOA (0.69) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL6338101 0.79 MAOA (0.69) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL765767 0.77 FABP4 (0.52) FABP4FABP5SIGMAR1GRIN1GRIN2A

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-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 US disclosed
US-8987321-B2 Lisofylline analogs and methods for use UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2015-03-24 US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 US disclosed
US-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2014-01-16 US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 US disclosed
US-8481580-B2 interleukin 1, 12, tumor necrosis factor alpha, and trigger interferon- gamma antagonist; antiinflammatory , antidiabetic agent, autoimmune disorders; active side chain moiety (5-R-hydroxyhexyl) of lisofyllin, greater potency and oral bioavailability than lisofylline UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2013-07-09 US disclosed
EP-2325169-A9 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES University Of Virginia Patent Foundation (US) 2012-03-21 EP disclosed
EP-2325169-A2 Lisofylline analogues and their pharmeacuetical uses University Of Virginia Patent Foundation (US) 2011-05-25 EP disclosed
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINA PATENT FOUNDATION 2008-06-19 US disclosed
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE UNIVERSITY OF VIRGINA PATENT FOUNDATION 2008-06-19 US disclosed
WO-2007027719-A2 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2007-03-08 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-20140018355-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI FABP4 4237/4885FABP5 404/4885SIGMAR1 1772/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI FABP4 4237/4885FABP5 404/4885SIGMAR1 1772/4885

“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.