SCHEMBL2595100

SCHEMBL2595100

CC(=CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O)CCCC(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.71
PTPN1 P18031 5/20 0.65
PTPN2 P17706 3/20 0.65
CDC25B P30305 2/20 0.65
PTGS1 P23219 2/20 0.44
PDE4A P27815 2/20 0.44
SNCA P37840 2/20 0.44
PDE3A Q14432 2/20 0.44
KDM1A O60341 1/20 0.40
MAOB P27338 2/20 0.33
PGR P06401 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD3 P35462 1/20 0.33
PTPRC P08575 1/20 0.33
DUSP3 P51452 1/20 0.33
MGAM O43451 2/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL13835667 1.00 ALOX15 (0.71) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL1713838 0.98 ALOX15 (0.75) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL1713839 0.98 ALOX15 (0.75) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL1723909 0.98 ALOX15 (0.75) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL1713835 0.98 ALOX15 (0.75) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL23298141 0.98 ALOX15 (0.75) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL13835863 0.94 PTPN1 (0.70) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL2594171 0.94 PTPN1 (0.70) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL13835551 0.88 ALOX15 (0.55) ALOX15PTPN1PTPN2CDC25BPTGS1
SCHEMBL13835553 0.88 ALOX15 (0.55) ALOX15PTPN1PTPN2CDC25BPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354618-A1 FORMULATIONS OF QUINONES FOR THE TREATMENT OF OPHTHALMIC DISEASES EDISON PHARMACEUTICALS, INC. 2017-12-14 US disclosed
US-20130109759-A1 FORMULATIONS OF QUINONES FOR THE TREATMENT OF OPHTHALMIC DISEASES EDISON PHARMACEUTICALS, INC. 2013-05-02 US disclosed
EP-2563352-A1 FORMULATIONS OF QUINONES FOR THE TREATMENT OF OPHTHALMIC DISEASES Edison Pharmaceuticals, Inc. (US) 2013-03-06 EP disclosed
US-20120295985-A1 METHODS FOR IMPROVING BLOOD GLUCOSE CONTROL EDISON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
WO-2011137126-A1 FORMULATIONS OF QUINONES FOR THE TREATMENT OF OPHTHALMIC DISEASES EDISON PHARMACEUTICALS, INC. (US) 2011-11-03 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 (3 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-20130109759-A1 FORMULATIONS OF QUINONES FOR THE TREATMENT OF OPHTHALMIC DISEASES MT-ND1, NDUFA7, NDUFA11 ALOX15 663/4885PTPN1 4106/4885PTPN2 4373/4885
US-20170354618-A1 FORMULATIONS OF QUINONES FOR THE TREATMENT OF OPHTHALMIC DISEASES MT-ND1, NDUFA7, NDUFA11 ALOX15 663/4885PTPN1 4106/4885PTPN2 4373/4885
US-20120295985-A1 METHODS FOR IMPROVING BLOOD GLUCOSE CONTROL SLC2A1, GPR119, SLC2A3 ALOX15 736/4885PTPN1 1219/4885PTPN2 1108/4885

“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.