SCHEMBL179147

SCHEMBL179147

CCOCC(O)CNC(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.49
ADRB1 P08588 3/20 0.49
CYP2D6 P10635 1/20 0.49
ADRB3 P13945 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11159331 0.82 KDM4E (0.48) ADRB2ADRB1CYP2D6ADRB3KDM4E
SCHEMBL11236751 0.82 KDM4E (0.44) ADRB2ADRB1CYP2D6ADRB3KDM4E
SCHEMBL23976280 0.81 ADRB2 (0.53) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL11227378 0.80 KDM4E (0.42) ADRB2ADRB1CYP2D6ADRB3KDM4E
SCHEMBL12441481 0.79 KDM4E (0.46) ADRB2ADRB1ADRB3KDM4EHTT
SCHEMBL11340743 0.79 USP2 (0.58) ADRB2ADRB1MEN1HTTKMT2A
SCHEMBL9759886 0.78 ADRB2 (0.50) ADRB2ADRB1CYP2D6ADRB3PTGS1
SCHEMBL12441491 0.77 USP2 (0.61) ADRB2ADRB1MEN1HTTKMT2A
SCHEMBL20670875 0.77 USP2 (0.61) ADRB2ADRB1MEN1HTTKMT2A
SCHEMBL23334641 0.77 USP2 (0.61) ADRB2ADRB1MEN1HTTKMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017031392-A1 LIPID COMPOUNDS FOR TREATMENT OF OBESITY, HYPERTENSION AND METABOLIC SYNDROME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-02-23 WO disclosed
US-8871983-B2 Lipid compounds for suppression of tumorigenesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-10-28 US disclosed
US-8871983-B2 Lipid compounds for suppression of tumorigenesis UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-10-28 US disclosed
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-03-08 US disclosed
US-20110177108-A1 LIPID COMPOUNDS FOR SUPRESSION OF TUMORIGENESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2011-07-21 US disclosed
WO-2010017550-A2 LIPID COMPOUNDS FOR SUPRESSION OF TUMORIGENESIS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-02-11 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-20110177108-A1 LIPID COMPOUNDS FOR SUPRESSION OF TUMORIGENESIS SREBF2, SREBF1, PLIN1 ADRB2 4718/4885ADRB1 4656/4885CYP2D6 4009/4885
US-20120059003-A1 INHIBITORS OF INV(16) LEUKEMIA FLI1, MCL1, CBFB ADRB2 4636/4885ADRB1 4388/4885CYP2D6 3481/4885

“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.