SCHEMBL13066046

SCHEMBL13066046

CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(C(=O)NCc5c6oc7cc(O)ccc7c(-c7ccc(C(=O)O)cc7C(=O)O)c-6ccc5=O)nc4)cc3C(=O)O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 4/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
ESR1 P03372 1/20 0.41
P2RY6 Q15077 1/20 0.40
CA9 Q16790 2/20 0.38
ALB P02768 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.37
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37

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
SCHEMBL13066052 0.93 SLC5A2 (0.45) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL13024566 0.92 P2RY6 (0.50) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL10293948 0.92 P2RY6 (0.46) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL13066251 0.92 HAVCR2 (0.38) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL14597192 0.91 ESR1 (0.40) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL10293918 0.90 P2RY6 (0.44) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL13065979 0.89 P2RY6 (0.42) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL13065978 0.88 P2RY6 (0.44) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL13066101 0.86 SLC5A2 (0.42) SLC5A2HAVCR2ESR1P2RY6CA9
SCHEMBL14051238 0.86 P2RY6 (0.45) SLC5A2HAVCR2ESR1P2RY6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2010-11-04 US disclosed
US-7432058-B2 Methods of labeling nucleic acids with energy transfer dyes APPLERA CORPORATION (US) 2008-10-07 US disclosed
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE APPLERA CORPORATION (US) 2007-07-05 US 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-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 SLC5A2 2548/4885HAVCR2 4252/4885ESR1 2242/4885
US-20070154927-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, SLC25A1 SLC5A2 2454/4885HAVCR2 4168/4885ESR1 2046/4885

“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.