SCHEMBL13066099

SCHEMBL13066099

CN(C)c1ccc2c(-c3ccc(C(=O)NCc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3C=O)c3ccc(=N)cc-3oc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.52
SLC5A2 P31639 3/20 0.49
CA9 Q16790 4/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA14 Q9ULX7 2/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALB P02768 1/20 0.44
HAVCR2 Q8TDQ0 1/20 0.43
P2RY6 Q15077 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL13078102 0.94 ESR1 (0.56) ESR1SLC5A2CA9CA12CA1
SCHEMBL10293892 0.89 ESR1 (0.56) ESR1SLC5A2CA9CA12CA1
SCHEMBL13024586 0.85 P2RY6 (0.60) ESR1SLC5A2CA9CA12CA1
SCHEMBL10293902 0.84 ESR1 (0.47) ESR1SLC5A2CA9CA12CA1
SCHEMBL14415009 0.84 ESR1 (0.54) ESR1SLC5A2CA9CA12CA1
SCHEMBL14419807 0.83 USP2 (0.64) ESR1SLC5A2CA9CA12CA1
SCHEMBL14597219 0.83 ESR1 (0.55) ESR1SLC5A2CA9CA12CA1
SCHEMBL14597202 0.83 ESR1 (0.55) ESR1SLC5A2CA9CA12CA1
SCHEMBL13066053 0.83 P2RY6 (0.53) ESR1SLC5A2CA9CA12CA1
SCHEMBL13066052 0.81 SLC5A2 (0.45) ESR1SLC5A2CA9CA12CA1

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 1 patent. 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

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-20100280246-A1 ENERGY TRANSFER DYES WITH ENHANCED FLUORESCENCE SLC25A21, ZCCHC8, ZDHHC7 ESR1 2242/4885SLC5A2 2548/4885CA9 4073/4885

“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.