SCHEMBL765479

SCHEMBL765479

C[C@@H](O)CCCCn1c2ccccc2c(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.56
SLC6A2 P23975 1/20 0.56
HRH1 P35367 1/20 0.56
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
FABP4 P15090 2/20 0.49
FABP5 Q01469 2/20 0.49
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 3/20 0.48
SYK P43405 2/20 0.48
HPGD P15428 1/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 1/20 0.47

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
SCHEMBL764356 0.91 FABP4 (0.54) FABP4FABP5HDAC1HDAC6SIGMAR1
SCHEMBL15423266 0.88 SLC6A4 (0.58) SLC6A4SLC6A2HRH1ALDH1A1KDM4E
SCHEMBL765574 0.81 SLC6A4 (0.49) SLC6A4SLC6A2HRH1ALDH1A1KDM4E
SCHEMBL29179744 0.80 SLC6A4 (0.54) SLC6A4SLC6A2HRH1ALDH1A1KDM4E
SCHEMBL10762770 0.78 SLC6A4 (0.56) SLC6A4SLC6A2HRH1ALDH1A1KDM4E
SCHEMBL12657613 0.78 SLC6A4 (0.70) SLC6A4SLC6A2HRH1ALDH1A1KDM4E
SCHEMBL10730998 0.77 PGR (0.70) SLC6A4SLC6A2HRH1ALDH1A1KDM4E
SCHEMBL22831750 0.77 SLC6A4 (0.56) SLC6A4SLC6A2HRH1ALDH1A1FABP4
SCHEMBL15423267 0.77 SIGMAR1 (0.55) ALDH1A1FABP4FABP5TP53MAPT
SCHEMBL31184256 0.77 SLC6A4 (0.56) SLC6A4SLC6A2HRH1ALDH1A1FABP4

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-1919867-B1 LISOFYLLINE ANALOGUES AND THEIR PHARMEACUETICAL USES Univ Virginia Patent Found (US) 2011-08-17 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

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 SLC6A4 248/4885SLC6A2 575/4885HRH1 232/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI SLC6A4 248/4885SLC6A2 575/4885HRH1 232/4885

“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.