SCHEMBL4597518

SCHEMBL4597518

COc1c(CC(C)OC(C)=O)c2c3c(CC(C)OC(C)=O)c(OC)c(=O)c4c(OC)cc(OC)c(c5c(OC)cc(OC)c(c1=O)c52)c43

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.49
TCF4 P15884 7/20 0.49
CDH1 P12830 2/20 0.44
APC P25054 2/20 0.44
TCF7L2 Q9NQB0 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
SYK P43405 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 1/20 0.33
BCL9 O00512 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABCG2 Q9UNQ0 1/20 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
SCHEMBL498425 0.74 CTNNB1 (0.37) CTNNB1TCF4MAPTSMN1; SMN2KMT2A
SCHEMBL13121634 0.74 CTNNB1 (0.49) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL31643973 0.74 CYP3A4 (0.37) CTNNB1TCF4MAPTSMN1; SMN2CYP3A4
SCHEMBL31134383 0.72 CTNNB1 (0.64) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL3673245 0.69 MGAM (0.40) CTNNB1TCF4CYP3A4
SCHEMBL29711243 0.69 CTNNB1 (0.81) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711326 0.69 CTNNB1 (0.78) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711331 0.67 CTNNB1 (0.76) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29711267 0.66 CTNNB1 (0.68) CTNNB1TCF4CDH1APCTCF7L2
SCHEMBL29929662 0.66 CTNNB1 (0.68) CTNNB1TCF4CDH1APCTCF7L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399188-B1 PERYLENEQUINONES FOR USE AS SONOSENSITIZERS UNIV ALBERTA (CA) 2008-01-16 EP claimed
EP-1357944-B1 PERYLENEQUINONES FOR USE WITH IMMUNOTHERAPY AGENTS ALTACHEM PHARMA LTD (CA) 2007-06-13 EP claimed
US-20040110846-A1 derivatives of perylenequinone pigments (PQPs) having both photosensitizing properties and sonosensitizing properties are used to treat diseases and other conditions by modulating the body's existing immune system, and/or any immunotherapies QUEST PHARMATECH INC. (CA) 2004-06-10 US claimed
US-20020143066-A1 Perylenequinones for use as photosensitizers and sonosensitizers ALTACHEM PHARMA, LTD. (CA) 2002-10-03 US claimed
US-20080255498-A1 Sensitizer Solutions, Systems, and Methods of Use OROSCIENCE, INC. 2008-10-16 US disclosed
EP-1933941-A2 TREATMENT SYSTEMS FOR DELIVERY OF SENSITIZER SOLUTIONS Houle, Philip R. (US) 2008-06-25 EP disclosed
WO-2007025244-A2 TREATMENT SYSTEMS FOR DELIVERY OF SENSITIZER SOLUTIONS HOULE PHILIP R (US) 2007-03-01 WO disclosed
EP-1015033-A2 SUBSTITUTED PERYLENEQUINONES FOR USE IN PHOTODYNAMIC THERAPY AltaRex, Corp. (CA) 2000-07-05 EP disclosed
EP-1015033-A4 SUBSTITUTED PERYLENEQUINONES FOR USE IN PHOTODYNAMIC THERAPY ALTAREX INC (CA) 2000-07-05 EP disclosed
WO-1998033470-A2 SUBSTITUTED PERYLENEQUINONES FOR USE IN PHOTODYNAMIC THERAPY ALTAREX CORP. (CA) 1998-08-06 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 (1 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-20040110846-A1 derivatives of perylenequinone pigments (PQPs) having both photosensitizing properties and sonosensitizing properties are used to treat diseases and other conditions by modulating the body's existing immune system, and/or any immunotherapies IL2, IFNG, LY96 CTNNB1 2720/4885TCF4 2115/4885CDH1 4416/4885

“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.