SCHEMBL764345

SCHEMBL764345

C[C@@H](O)CCCCN1C(=O)COc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CHRM1 P11229 6/20 0.55
ALDH1A1 P00352 1/20 0.52
ALOX12 P18054 1/20 0.52
DRD2 P14416 4/20 0.52
HTR2A P28223 4/20 0.52
MCHR1 Q99705 3/20 0.52
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CHRM3 P20309 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
ADRA1B P35368 1/20 0.50
KCNH2 Q12809 1/20 0.50
SMPD1 P17405 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL15423257 0.90 POLB (0.55) POLBHSD17B10CHRM1ALDH1A1ALOX12
SCHEMBL10248078 0.85 POLB (0.56) POLBHSD17B10CHRM1ALDH1A1ALOX12
SCHEMBL764364 0.83 POLB (0.55) POLBHSD17B10CHRM1ALDH1A1ALOX12
SCHEMBL15423258 0.81 DRD2 (0.56) POLBHSD17B10CHRM1ALDH1A1DRD2
SCHEMBL16264966 0.81 DRD2 (0.58) POLBHSD17B10CHRM1ALDH1A1DRD2
SCHEMBL1764705 0.81 ALDH1A1 (0.55) POLBHSD17B10CHRM1ALDH1A1DRD2
SCHEMBL7461682 0.80 SMPD1 (0.53) POLBHSD17B10CHRM1ALDH1A1ALOX12
SCHEMBL1763884 0.80 DRD2 (0.57) CHRM1ALDH1A1DRD2HTR2AMCHR1
SCHEMBL765581 0.79 PIM1 (0.55) SMPD1MEN1KMT2A
SCHEMBL4058329 0.79 ALDH1A1 (0.56) POLBHSD17B10CHRM1ALDH1A1DRD2

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 POLB 1903/4885HSD17B10 4213/4885CHRM1 1516/4885
US-20080146544-A1 LISOFYLLINE ANALOGS AND METHODS FOR USE LPXN, LCT, SI POLB 1903/4885HSD17B10 4213/4885CHRM1 1516/4885

“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.