SCHEMBL765767

SCHEMBL765767

CC(=O)O[C@H](C)CCCCn1c2ccccc2c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.52
FABP5 Q01469 3/20 0.52
HDAC6 Q9UBN7 4/20 0.49
HDAC1 Q13547 3/20 0.49
PSEN1 P49768 5/20 0.47
PSEN2 P49810 5/20 0.47
APH1B Q8WW43 5/20 0.47
NCSTN Q92542 5/20 0.47
APH1A Q96BI3 5/20 0.47
PSENEN Q9NZ42 5/20 0.47
FABP3 P05413 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
SCARB1 Q8WTV0 1/20 0.44
CNR2 P34972 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL765574 0.93 SLC6A4 (0.49) FABP4FABP5HDAC6HDAC1PSEN1
SCHEMBL765101 0.78 HTR1A (0.49) HDAC1KDM4E
SCHEMBL764356 0.77 FABP4 (0.54) FABP4FABP5HDAC6HDAC1SIGMAR1
SCHEMBL15423267 0.77 SIGMAR1 (0.55) FABP4FABP5SIGMAR1SCARB1POLB
SCHEMBL2872534 0.77 FABP4 (0.58) FABP4FABP5HDAC6HDAC1PSEN1
SCHEMBL15407382 0.76 FABP4 (0.48) FABP4FABP5HDAC6HDAC1PSEN1
SCHEMBL12750801 0.75 FABP4 (0.56) FABP4FABP5HDAC6HDAC1PSEN1
SCHEMBL765778 0.75 FAAH (0.57)
SCHEMBL24701467 0.74 SIGMAR1 (0.53) FABP4FABP5HDAC6HDAC1SIGMAR1
SCHEMBL12938804 0.74 FABP4 (0.73) FABP4FABP5HDAC6HDAC1FABP3

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 9 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-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 404/4885HDAC6 3147/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI FABP4 4237/4885FABP5 404/4885HDAC6 3147/4885

“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.