SCHEMBL222227

SCHEMBL222227

O=c1cc2oc(-c3ccc(O)cc3)cc(O)c-2c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
CBS P35520 2/20 0.53
PTPN1 P18031 1/20 0.53
CYP3A4 P08684 4/20 0.46
HPGD P15428 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 4/20 0.46
IP6K2 Q9UHH9 4/20 0.46
MAPK1 P28482 3/20 0.46
PKM P14618 3/20 0.46
NPC1 O15118 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
APP P05067 3/20 0.46
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
MEN1 O00255 2/20 0.46
AR P10275 2/20 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
SCHEMBL21857630 0.72 CDK5 (0.49) CDK5CDK5R1CBSPTPN1CYP3A4
SCHEMBL32662696 0.70 CBS (0.70) CDK5CDK5R1CBSPTPN1CYP3A4
SCHEMBL219729 0.69 BCL9 (0.49) CDK5CDK5R1PTPN1CYP3A4HPGD
Cupressuflavone SCHEMBL31670258 0.69 CBS (1.00) CDK5CDK5R1CBSPTPN1CYP3A4
Cupressuflavone SCHEMBL505213 0.69 CBS (1.00) CDK5CDK5R1CBSPTPN1CYP3A4
SCHEMBL24088771 0.68 CBS (0.82) CDK5CDK5R1CBSPTPN1CYP3A4
Cupressuflavone SCHEMBL4650575 0.68 CBS (0.97) CDK5CDK5R1CBSPTPN1CYP3A4
SCHEMBL30442786 0.68 CBS (0.82) CDK5CDK5R1CBSPTPN1CYP3A4
SCHEMBL16436195 0.68 ESR1 (0.56) CYP3A4HPGDKMT2AMAPTSMN1; SMN2
SCHEMBL12867826 0.67 EGFR (0.62) CYP3A4HPGDMAPTKDM4EAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2508182-B1 Hydralazine for use in the treatment of age-related macular degeneration TEXAS A & M UNIV SYS (US) 2016-07-06 EP disclosed
EP-2508183-B1 Interleukin-1 blocker for use in the treatment of age-related macular degeneration TEXAS A & M UNIV SYS (US) 2014-07-09 EP disclosed
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2013-03-07 US disclosed
US-8318741-B2 Therapeutic compositions and methods THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-11-27 US disclosed
EP-2508183-A1 Interleukin-1 blocker for use in the treatment of age-related macular degeneration THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-10-10 EP disclosed
EP-2508182-A1 Hydralazine for use in the treatment of age-related macular degeneration THE TEXAS A & M UNIVERSITY SYSTEM (US) 2012-10-10 EP disclosed
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-08-02 US disclosed
US-20120115959-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-05-10 US disclosed
US-20120071485-A1 Therapeutic Compositions And Methods THE TEXAS A&M UNIVERSITY SYSTEM 2012-03-22 US disclosed
US-8088773-B2 Therapeutic compositions and methods THE TEXAS A&M UNIVERSITY SYSTEM (US) 2012-01-03 US disclosed
EP-1885371-A1 THERAPEUTIC COMPOSITIONS AND METHODS The Texas A & M University System (US) 2008-02-13 EP disclosed
US-20060276458-A1 Therapeutic compositions and methods THE TEXAS A & M UNIVERSITY SYSTEM 2006-12-07 US disclosed
WO-2006124324-A1 THERAPEUTIC COMPOSITIONS AND METHODS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2006-11-23 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 (5 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-20060276458-A1 Therapeutic compositions and methods PDE6H, PDE6C, PDE6D CDK5 1561/4885CDK5R1 2236/4885CBS 2145/4885
US-20120115959-A1 Therapeutic Compositions And Methods PDE6C, PDE6H, PDE6D CDK5 1341/4885CDK5R1 1874/4885CBS 1721/4885
US-20120071485-A1 Therapeutic Compositions And Methods PDE6H, PDE6C, PDE6D CDK5 1561/4885CDK5R1 2236/4885CBS 2145/4885
US-20120196868-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D CDK5 1561/4885CDK5R1 2236/4885CBS 2145/4885
US-20130059841-A1 THERAPEUTIC COMPOSITIONS AND METHODS PDE6H, PDE6C, PDE6D CDK5 1561/4885CDK5R1 2236/4885CBS 2145/4885

“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.