SCHEMBL3974951

SCHEMBL3974951

COc1ccc(C(OCC(O)COCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.50
KCNH2 Q12809 1/20 0.50
CASR P41180 2/20 0.41
SLC6A1 P30531 2/20 0.41
SLC6A11 P48066 1/20 0.41

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
SCHEMBL13575129 0.87 CASR (0.47) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL16104620 0.87 CASR (0.47) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL9496434 0.87 CASR (0.47) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL9159602 0.87 CASR (0.47) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL30515121 0.87 CASR (0.47) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL9495170 0.87 CASR (0.47) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL15070694 0.87 CASR (0.47) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL10411750 0.86 SLC6A1 (0.39) KIF11KCNH2CASRSLC6A1SLC6A11
SCHEMBL13160566 0.85 KIF11 (0.52) KIF11KCNH2SLC6A1SLC6A11
SCHEMBL10412255 0.85 CASR (0.46) KIF11KCNH2CASRSLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504495-B2 Quencher compositions comprising anthraquinone moieties EXIQON A/S (DK) 2009-03-17 US disclosed
US-20050227254-A1 Quencher compositions comprising anthraquinone moieties QIAGEN GMBH (DE) 2005-10-13 US disclosed
EP-1538154-A1 Quencher composition comprising anthraquinone moieties Exiqon A/S (DK) 2005-06-08 EP disclosed
EP-0898596-B1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-08-29 EP disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed
EP-0898596-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD Amersham Pharmacia Biotech UK Limited (GB) 1999-03-03 EP disclosed
WO-1997040104-A1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-10-30 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-20050227254-A1 Quencher compositions comprising anthraquinone moieties ANXA5, SUN2, ANXA3 KIF11 4653/4885KCNH2 2949/4885CASR 384/4885

“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.